data_2lou_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 2lou _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -57.99 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 1.0 110.569 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.23 -7.44 0.12 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.04 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.8 t70 -45.29 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.0 110.582 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 18.8 t-20 -99.64 27.27 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.527 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 62.99 -70.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 69.45 149.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.23 30.88 0.49 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.14 -19.76 65.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 16' ' ' GLN . 1.4 m-20 -56.99 -13.36 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -66.6 1.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 14' ' ' ASP . 23.3 mt-30 -138.89 41.76 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.487 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -140.08 165.02 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.577 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' N ' ' HG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -51.08 89.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.3 m -139.06 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.583 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -141.22 40.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -139.68 6.22 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -138.44 -37.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -34.31 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 1.1 p-90 -94.44 8.13 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.554 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -32.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.497 ' C ' ' HG ' ' A' ' 27' ' ' SER . 2.5 p -159.23 -74.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.497 ' HG ' ' C ' ' A' ' 26' ' ' SER . 0.9 OUTLIER 73.04 -51.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.514 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.96 24.89 9.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.65 48.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 1.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.0 tp -172.22 -32.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.316 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -72.92 -35.47 2.91 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.412 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.24 -8.78 9.02 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.154 1.902 . . . . 1.0 112.017 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.03 -63.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -53.64 -30.9 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -82.61 -8.03 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 ttm -96.36 -31.62 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.22 -17.2 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.2 t -101.43 -3.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -75.14 -39.4 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.51 4.7 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -137.49 24.19 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 4.37 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -161.36 -57.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -50.51 -23.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.18 -75.87 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.1 m-80 -137.05 -110.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.643 0.259 . . . . 1.0 110.452 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.5 22.37 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ASN . 5.1 mt -135.9 -45.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -45.06 -17.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.1 mp -92.8 -45.18 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.514 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -50.51 -58.93 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.541 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.51 ' OG1' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -51.09 -47.3 61.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 96.7 t -73.81 5.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.87 -18.5 22.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -95.51 -9.27 32.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.565 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OG1' ' A' ' 52' ' ' THR . 30.3 mttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -26.26 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.6 p90 -138.83 -34.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 13.5 t70 -47.28 91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.521 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -138.2 -41.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.568 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -65.28 -47.41 76.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.69 145.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.24 37.72 4.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.83 -96.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 1.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -22.44 39.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.561 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -50.64 -36.81 37.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.21 41.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.582 ' HG ' ' H ' ' A' ' 18' ' ' GLU . 2.1 t -150.88 -162.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.582 ' H ' ' HG ' ' A' ' 17' ' ' SER . 2.4 mt-10 -57.42 80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' SER . 40.0 t -100.63 -36.98 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.553 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -149.89 52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -138.43 10.29 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' TRP . 4.9 t -174.13 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.29 21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 33.0 p-90 -138.49 -53.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 28.8 mmtt 43.45 -94.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.561 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' TRP . 94.6 p -172.0 124.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -85.8 43.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.637 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 102.12 13.4 31.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 78.42 30.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 1.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.22 17.36 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.382 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -88.4 -39.38 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.096 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -59.62 2.35 0.3 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.29 1.993 . . . . 1.0 112.113 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -129.5 -59.9 1.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mt -47.66 -55.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -24.72 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 ttp -74.2 -27.89 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.1 mt -78.55 -24.37 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.11 -29.48 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.588 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 41.1 t80 -69.41 -22.85 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.82 26.79 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.7 tp -172.28 51.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.69 -23.76 0.1 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -125.73 -36.75 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.904 0.383 . . . . 1.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -57.47 -30.27 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.33 -63.9 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 1.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.89 34.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 50' ' ' LEU . 54.7 mt -105.92 -62.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 1.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.49 -10.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.2 mt -102.66 -21.72 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.524 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.502 ' CD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -85.78 -55.21 4.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 8.1 t -45.99 -32.9 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.52 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.92 -31.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' TRP . 2.3 t80 -60.98 -30.7 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -85.71 -36.81 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.609 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.68 -25.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 1.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -140.46 -39.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 31.3 t70 -48.09 165.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.7 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -50.02 -46.57 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.81 -158.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.19 -30.64 0.46 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.61 -166.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -30.96 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.04 -52.43 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -95.45 46.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.405 ' HG ' ' H ' ' A' ' 18' ' ' GLU . 5.4 t -139.7 166.07 25.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' H ' ' HG ' ' A' ' 17' ' ' SER . 1.3 mp0 -42.18 99.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.85 -30.61 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.1 mt-10 -138.04 -41.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.612 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.59 66.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -160.74 -48.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.585 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -64.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 p-90 -66.13 -19.12 65.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 117.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p -77.73 -74.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.611 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.75 -2.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.528 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -169.63 24.83 0.1 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.33 -64.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 1.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.96 17.25 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.9 mm -79.88 -35.57 0.95 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.46 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.2 Cg_exo -60.16 -15.81 36.41 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.162 1.908 . . . . 1.0 111.958 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.73 -59.08 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.8 mt -54.83 -64.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -43.03 -39.69 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 mmm -63.5 -58.93 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.05 31.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 36' ' ' MET . 23.9 t -138.56 -21.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 1.3 t80 -83.68 -40.69 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.15 -8.72 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.05 26.94 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.58 22.36 0.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -170.03 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -101.26 -32.31 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.614 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.1 -0.48 61.71 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.17 4.78 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 1.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.72 19.49 54.49 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.2 mt -135.21 -27.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 9.4 p -74.09 14.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.475 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -144.74 9.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.682 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -103.33 -52.88 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.1 t -80.56 -29.58 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.555 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.39 -40.11 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -14.58 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.633 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -102.24 5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 42.27 23.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -143.67 -5.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.5 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -46.36 124.07 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -158.81 -47.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -52.4 -44.25 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 1.8 t80 69.66 -65.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.539 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.52 -31.65 14.7 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -42.73 -28.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 1.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 11' ' ' TYR . 3.3 p30 -49.1 -17.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -50.73 -35.11 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.613 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 41.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' CYS . 64.0 m -139.74 -168.15 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 16.0 p -101.28 -37.09 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.0 mt-10 -144.92 48.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.99 27.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -173.8 -34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -82.64 5.46 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' NE1' ' O ' ' A' ' 20' ' ' GLU . 7.2 p-90 -141.04 35.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 162.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -74.64 -74.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.626 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 74.37 -15.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.56 3.27 3.21 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.88 -7.9 5.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.631 0.253 . . . . 1.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.96 -12.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -89.27 -39.49 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.26 -18.07 42.95 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.273 1.982 . . . . 1.0 111.933 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.92 -55.39 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.94 -79.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -41.49 -44.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.3 ttm -51.88 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.67 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.5 -42.37 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.35 23.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.9 t80 -108.42 -33.69 7.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -82.63 -12.87 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.34 18.31 3.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.01 -14.9 2.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -142.66 -60.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -44.04 -26.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.587 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -69.38 -48.63 43.73 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.76 20.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 144.21 35.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.52 -34.54 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 1.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 p -87.81 -4.54 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.521 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -131.88 -3.37 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.663 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 4.4 t90 -86.19 -74.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -45.58 -46.27 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.545 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -49.74 -34.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -67.92 -22.28 65.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.522 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 17.3 mtt85 -99.05 -39.15 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -3.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.523 ' H ' ' C ' ' A' ' 5' ' ' GLY . 12.5 p90 -151.66 29.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.599 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 15.3 p-10 -51.62 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.587 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -153.81 -42.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.58 -31.1 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER 70.84 -66.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.543 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.33 29.87 1.18 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -61.7 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 1.0 110.503 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 47.87 12.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.532 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.523 ' H ' ' C ' ' A' ' 13' ' ' ALA . 24.4 t30 -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.025 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.512 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -108.86 33.36 4.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.32 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -145.12 171.95 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.552 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.48 78.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.1 p -47.15 -61.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.633 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt-10 -136.9 4.1 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -81.31 60.29 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.638 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -174.87 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -76.7 61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 26' ' ' SER . 67.4 p-90 -174.18 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.719 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.3 mmtt -39.33 91.51 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 79.26 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.466 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -92.0 42.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 154.19 -22.26 0.67 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.996 -0.841 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 42.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.97 2.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -78.88 -39.42 1.5 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.164 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.8 -5.71 3.86 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.24 1.96 . . . . 1.0 111.939 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.04 -80.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.72 -32.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -76.67 -51.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.75 -24.35 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.59 -9.64 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -93.97 -7.95 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.01 -33.18 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.492 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.22 -5.24 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.589 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.37 70.12 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -19.31 0.22 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.518 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.5 m -125.66 -37.79 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 1.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.2 t -50.34 -11.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.511 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -39.2 -94.02 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 48' ' ' LEU . 4.0 t-20 -156.87 -139.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 1.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.12 -7.05 1.86 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 46' ' ' ASN . 5.1 mt -90.61 -1.67 57.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.346 . . . . 1.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 70.3 t -99.56 -2.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.6 3.31 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.654 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.5 t90 -101.8 -79.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.456 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -67.88 -34.57 76.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.508 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.2 t -69.92 -32.45 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.62 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 74.2 t80 -74.94 21.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.59 -10.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.624 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tptp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.557 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 6.2 t0 -70.46 13.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.522 ' H ' ' C ' ' A' ' 5' ' ' GLY . 13.5 m-85 -144.72 4.29 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 2.9 p30 -50.6 128.06 19.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.607 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -89.19 13.54 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 62.68 -71.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 3.0 t80 69.61 143.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.2 37.86 2.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.59 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.559 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -21.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -50.95 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -97.67 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 96.78 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 42.98 42.03 2.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 21' ' ' TYR . 22.0 p -83.69 62.61 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.582 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.7 mt-10 42.45 52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.7 p90 -143.64 25.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -144.5 -37.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 32.5 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.33 -33.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.622 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 60.29 -73.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -173.97 -74.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.0 -12.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.507 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -148.96 13.49 1.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.58 56.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CB ' ' HG ' ' A' ' 26' ' ' SER . 41.0 tp -173.27 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.45 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -70.87 -39.55 8.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.24 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.42 -2.43 1.38 Allowed 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.256 1.971 . . . . 1.0 112.017 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -102.83 -59.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.539 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -57.06 -55.2 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.23 72.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.0 ttp -74.03 -33.87 63.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -40.0 94.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' GLY . 58.4 t -52.48 -34.64 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -71.88 -25.75 62.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -103.28 0.02 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.593 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.67 8.61 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -87.45 -48.69 4.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -140.68 -33.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 1.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' CG2' ' A' ' 44' ' ' THR . 8.5 m -63.17 -12.79 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.557 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.25 -40.61 2.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -102.87 44.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 1.0 110.614 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.25 22.05 2.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.71 -9.46 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -91.73 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.2 8.7 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 52' ' ' THR . 23.6 t90 -96.7 -86.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.576 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 3.0 t -53.36 -37.32 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.11 -32.27 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.91 -46.76 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.71 23.32 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -44.69 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.2 p90 -140.63 45.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.23 112.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.561 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -93.62 21.13 6.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.84 -40.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.598 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.514 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.7 t80 75.12 -161.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -41.17 -30.6 0.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 -84.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 1.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m-20 -58.14 -49.38 77.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.21 -37.39 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -100.55 41.59 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -143.67 -164.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.591 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.48 87.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.518 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -145.37 100.77 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 6.6 mt-10 62.87 -0.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.669 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 1.3 m-85 -108.05 26.03 10.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.567 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.587 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -72.7 53.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 34.8 p-90 -172.32 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' HG ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -41.32 99.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.45 ' HG ' ' C ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 74.48 101.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.567 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -66.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -75.22 -29.72 59.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.27 44.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 1.0 110.666 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 18.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.697 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.605 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -71.75 -38.74 6.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.195 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -86.86 14.85 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.499 2.133 . . . . 1.0 112.071 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.84 -31.4 5.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -106.45 -37.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -75.95 -29.61 58.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.514 ' C ' ' H ' ' A' ' 38' ' ' VAL . 15.5 mmm -85.09 -46.95 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 mt -75.32 28.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 36' ' ' MET . 41.4 t -143.09 -9.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.54 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -90.36 -35.25 15.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 5.45 42.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.65 15.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 -0.21 3.85 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 -63.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 1.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -47.2 -22.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.51 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.43 -64.43 2.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.535 ' C ' HD21 ' A' ' 46' ' ' ASN . 0.1 OUTLIER -107.26 -128.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 1.0 110.675 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.511 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 40.74 39.59 1.9 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.91 -10.25 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 1.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.68 11.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.559 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.92 4.5 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.549 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -97.97 -68.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.591 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -47.51 -46.36 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -43.44 -26.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -82.32 -38.46 24.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 1.5 mpt_? -71.55 -35.43 70.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.532 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 41.82 22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 1.0 110.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 46.84 46.95 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.572 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -51.06 161.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -81.73 2.75 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.562 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 65.01 -69.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.55 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.503 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 -53.84 1.56 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 44.21 35.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 1.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 45.38 17.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.7 t30 -70.65 -39.3 73.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.75 41.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.7 139.2 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 40.34 35.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.74 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 5.7 t -102.34 91.09 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 8.6 mt-10 58.07 21.81 8.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 50.7 m-85 -101.1 13.21 35.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.88 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.524 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.41 40.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.2 p-90 -160.31 -41.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.5 mmtt 41.85 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' TRP . 12.7 p -172.6 126.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.0 p -102.3 53.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.609 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 137.66 -26.02 2.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 78.8 41.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 1.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.06 13.02 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.6 mp -79.72 -34.5 0.88 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.509 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.0 Cg_exo -59.5 -32.5 96.39 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.046 1.83 . . . . 1.0 111.977 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.71 -61.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.3 mt -53.42 -32.69 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 31.4 t80 -77.78 -16.22 58.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -88.07 -43.01 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.552 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -74.84 20.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.512 ' H ' ' C ' ' A' ' 36' ' ' MET . 77.9 t -142.42 -15.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 9.3 t80 -78.27 -14.36 59.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.96 -9.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.526 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -138.2 62.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.86 -25.77 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.14 -47.23 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.0 110.307 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -45.88 -31.62 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.15 -83.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.06 16.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.65 38.91 3.16 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -100.75 -5.63 26.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 74.1 t -100.14 -3.23 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 8.07 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.491 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.7 t90 -92.57 -78.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.573 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.11 -32.69 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.32 -30.28 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.63 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.61 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -71.84 -9.23 58.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.623 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mptt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.44 20.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 1.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' GLY . 4.1 m-85 -155.95 123.45 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.35 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -99.45 -0.79 40.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 67.58 -66.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t80 79.17 102.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 71.48 -59.11 1.21 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.57 -84.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 1.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -53.18 -38.95 63.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -42.56 -37.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.39 41.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.58 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ASP . 43.8 t -138.74 169.9 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.11 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' OD1' ' A' ' 23' ' ' ASP . 2.0 t -99.43 30.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.4 mt-10 -144.57 -36.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.59 5.46 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.1 p -142.32 -35.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.487 ' OD1' ' SG ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -39.9 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 12.3 p-90 -106.55 -68.85 0.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.037 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.52 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.692 0.282 . . . . 1.0 110.847 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -101.59 91.82 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 m -73.0 37.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.597 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 127.76 5.63 5.3 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.59 34.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.32 16.76 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.37 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -89.81 -39.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.279 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.0 Cg_exo -58.67 -16.95 33.03 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.215 1.943 . . . . 1.0 112.043 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.55 -69.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 97.0 mt -43.26 -45.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.87 -38.91 87.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 ttm -64.21 -52.67 57.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.61 -57.56 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 77.4 t -44.51 -26.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.59 -45.93 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.88 -4.47 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.63 16.23 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -138.65 8.48 3.38 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.9 m -155.97 -53.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 1.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -28.05 68.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.52 -61.97 3.04 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.14 14.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -84.07 11.74 56.48 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.08 2.59 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 1.0 110.591 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 80.3 t -93.13 -0.77 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.531 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.94 -34.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 17.9 t90 -49.46 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.66 -43.36 2.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.602 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -51.15 -37.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.23 -42.95 92.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -101.2 22.81 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.381 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.41 -38.7 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -151.52 17.45 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -56.25 133.76 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.619 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.67 21.38 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.526 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.9 m-85 62.77 -71.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 69.4 t80 49.66 -87.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.6 48.6 1.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -80.34 -69.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 1.0 110.607 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.67 -17.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ALA . 21.0 t-20 -61.12 -37.01 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.23 41.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' CYS . 43.6 t -144.47 127.68 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -43.24 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.514 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.4 t -94.71 -54.16 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.69 27.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 22.0 p90 -137.64 50.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 24' ' ' TRP . 6.7 t -173.57 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.508 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -5.27 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.5 p-90 -140.22 -70.84 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 48.93 100.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.57 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.2 p -151.63 80.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -77.95 46.02 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.59 -5.58 3.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.42 50.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 1.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 20.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.526 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.8 mm -80.77 -35.77 0.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.468 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.2 Cg_exo -59.75 -17.98 45.98 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.13 1.887 . . . . 1.0 111.99 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.21 -58.27 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.528 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.45 -30.41 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.635 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -79.9 -30.89 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.27 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.73 -17.21 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -92.96 -7.16 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.528 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.13 -32.14 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -5.64 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.18 75.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.96 -14.97 0.59 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -131.72 -37.62 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.769 0.319 . . . . 1.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -48.5 -13.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.498 ' C ' HD21 ' A' ' 46' ' ' ASN . . . -66.66 -81.14 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 HD21 ' C ' ' A' ' 45' ' ' GLY . 2.3 m-80 -138.27 57.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.713 0.292 . . . . 1.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.56 -23.87 4.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.8 pp -103.46 -18.46 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.692 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -54.02 -7.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.2 mt -89.85 2.86 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -111.46 -36.46 5.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.52 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -78.06 -48.55 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.455 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.3 t -41.78 -33.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.77 -41.66 97.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.6 mtt-85 -78.94 -43.5 24.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.616 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.461 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 16.6 t70 -63.93 3.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 1.0 110.685 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -172.12 87.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.675 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.0 122.48 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.615 ' ND2' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.2 -41.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.615 ' CE2' ' ND2' ' A' ' 9' ' ' ASN . 85.2 m-85 -156.44 -80.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.0 t80 62.0 -72.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -83.12 -49.24 5.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . 43.11 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 1.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -58.02 -7.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.521 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 13' ' ' ALA . 1.3 m-80 -71.4 -64.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -97.88 47.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 18' ' ' GLU . 5.8 t -139.58 45.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 17' ' ' SER . 2.0 mt-10 40.3 94.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.757 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -101.51 38.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.5 42.92 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.523 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 12.6 p90 -137.82 33.92 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.91 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -32.83 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -83.19 -0.14 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.92 108.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.16 83.35 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -69.03 -31.7 70.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -139.49 6.31 2.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 74.95 37.13 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.0 4.3 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.55 -41.01 4.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.6 Cg_exo -57.77 -6.44 2.49 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.218 1.946 . . . . 1.0 112.044 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -99.59 -60.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.62 -33.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.05 77.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.6 tmm? -70.92 -36.08 72.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 11.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 95.2 t -137.99 7.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -95.26 -54.17 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -68.29 -2.79 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.558 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mt -126.05 -19.63 4.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.638 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.26 33.73 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.44 -40.56 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 1.0 110.546 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -74.36 -5.08 40.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.5 -17.38 24.21 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -137.85 -44.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 1.0 110.628 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.618 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.59 71.68 0.11 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' ASN . 3.8 mt -147.76 -17.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 1.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -94.59 -3.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.565 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 pp -136.53 2.34 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 52' ' ' THR . 9.0 t90 -92.6 -74.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 2.8 t -52.78 -37.41 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.481 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -48.31 -37.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.517 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -72.93 -19.58 61.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.8 mpt_? -92.52 -34.62 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.578 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.36 36.78 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 1.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -144.57 -3.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 141.78 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.607 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -139.65 6.93 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.557 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.97 -40.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.3 t80 76.82 125.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.28 42.54 82.83 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.05 -29.78 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 1.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -50.74 -25.45 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.91 -38.68 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.58 41.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' CYS . 97.8 p -102.94 -167.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 86.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' SER . 13.5 t -137.58 -54.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 77.0 mt-10 -137.81 4.17 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -101.47 -0.11 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 p -143.68 -36.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.74 -31.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 21.6 p-90 -101.46 -57.53 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.595 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.8 94.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -145.18 113.04 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.4 m -92.96 15.71 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -168.35 -34.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.36 44.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.46 18.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.689 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.617 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.41 -38.96 9.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.078 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.91 -9.03 8.84 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.197 1.932 . . . . 1.0 111.794 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.35 -58.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.7 mt -53.95 -28.57 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' VAL . 43.3 t80 -81.64 -70.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.656 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 7.6 ptm -43.0 -25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.64 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 35' ' ' TYR . 5.2 mt -68.54 -43.41 76.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.2 t -59.47 -31.06 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 6.2 t80 -67.13 -21.64 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 mt -108.25 -26.54 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -102.09 -3.57 27.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.461 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -67.17 -53.11 27.76 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -138.07 -36.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 1.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 46' ' ' ASN . 4.1 m -59.87 -31.72 70.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.63 24.46 3.19 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -157.77 119.56 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 1.0 110.494 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.55 34.91 5.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.38 -34.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 1.0 110.594 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.08 -2.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.64 -0.14 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.662 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.9 t90 -101.96 -83.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.4 t -59.75 -13.57 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.62 -48.34 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -39.44 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.56 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -80.01 -33.79 38.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.553 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -57.77 80.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' GLY . 95.2 m-85 -156.73 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t0 43.39 20.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 4.5 t-20 -140.06 28.6 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.88 -71.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.09 -65.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.581 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.11 35.57 1.08 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -93.79 -100.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 1.0 110.59 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.48 -18.33 6.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -54.91 -41.44 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -99.82 41.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -138.77 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.14 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' SER . 45.1 t -86.89 -45.26 11.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 11.5 mt-10 -138.91 52.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.431 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 48.6 m-85 -138.39 7.58 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -172.19 -34.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 15.4 p-10 -88.82 59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 18.6 p-90 -171.1 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 47.56 14.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.581 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 78.43 106.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.512 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -71.38 0.6 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.59 52.86 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.6 25.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.744 0.307 . . . . 1.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -110.03 -25.62 10.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.68 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -66.7 -40.45 31.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_exo -57.82 -29.85 87.41 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.216 1.944 . . . . 1.0 112.0 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -66.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -53.5 -32.07 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.97 -21.64 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 35.5 ttp -81.92 -39.72 23.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.57 13.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 22.7 t -137.5 -19.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.631 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -72.26 -39.88 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.325 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 -12.78 15.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.36 67.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.91 -19.12 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.4 m -123.22 -40.77 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 t -47.62 -15.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -41.2 -93.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' LEU . 23.5 m120 -138.45 -104.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 1.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.87 23.11 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' ASN . 9.3 mt -133.16 -17.34 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 1.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 75.2 t -79.48 9.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 11.69 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.631 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.76 -58.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.623 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.7 t -76.72 -32.29 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.396 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.49 -29.11 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.97 31.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -139.95 -19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.561 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.74 2.46 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 1.0 110.611 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -102.26 -27.68 12.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.617 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.3 135.38 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.526 ' C ' ' H ' ' A' ' 11' ' ' TYR . 8.2 p-10 -95.68 19.43 11.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 3.0 m-85 70.8 -40.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.5 t80 69.24 -150.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 14' ' ' ASP . . . -41.29 -50.29 4.54 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 71.7 -42.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 1.0 110.617 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.2 m-20 -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.89 -37.12 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.552 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.43 43.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' CYS . 16.1 m -138.69 -169.77 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.557 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.8 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.8 p -85.13 87.08 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 68.47 24.05 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.669 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.89 -1.7 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -172.84 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -74.82 63.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.528 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 16.0 p-90 -161.92 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 24' ' ' TRP . 5.8 ptpt -39.84 132.92 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -71.88 -73.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.486 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.98 -15.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -142.87 7.72 2.18 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.36 -62.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.545 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.98 -0.27 36.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -73.35 -40.59 5.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.4 Cg_exo -57.65 -14.97 18.84 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.234 1.956 . . . . 1.0 112.025 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.75 -65.85 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.46 -42.36 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.98 -46.81 68.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.62 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttm -59.54 -26.47 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -85.51 -29.1 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 94.4 t -91.68 7.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.502 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -96.61 -36.79 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.552 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.34 -4.61 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.44 5.47 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.18 -43.83 5.51 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -139.39 -40.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 1.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASN . 3.4 m -55.64 -34.8 65.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.39 -23.97 0.33 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -138.85 6.09 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.711 0.291 . . . . 1.0 110.499 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.53 7.16 81.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 50' ' ' LEU . 5.6 mt -100.42 -24.98 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -70.85 11.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 48' ' ' LEU . 32.3 mt -115.79 -46.05 2.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 3.9 t90 -84.96 -29.4 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 55' ' ' ARG . 12.0 m -81.09 -51.21 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.75 -26.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -94.96 29.04 2.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.8 mtt85 -141.67 -20.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -70.97 40.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 1.0 110.699 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER 57.36 28.7 15.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t0 42.05 90.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.583 ' ND2' ' CD2' ' A' ' 10' ' ' TYR . 2.7 p-10 -65.88 -55.6 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 75.9 m-85 -55.57 -56.07 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 44.62 -96.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -61.87 -63.67 4.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . 72.37 -45.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 1.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.0 m-20 -58.06 -4.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.489 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -80.01 1.16 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -139.09 42.04 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -100.59 101.17 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 43.46 41.79 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.42 50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 53.47 60.81 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.612 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -150.72 23.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.526 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -167.08 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -11.48 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.586 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.4 p-90 -149.68 -68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 19.1 mmtt 41.92 71.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.0 p -169.39 125.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -75.02 16.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.503 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 134.13 0.51 3.8 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 81.17 52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 1.0 110.725 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -138.68 30.72 2.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.553 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -78.57 -39.17 1.58 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.851 179.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.7 Cg_endo -86.27 24.33 0.76 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.503 2.135 . . . . 1.0 111.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.25 -33.38 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 93.0 mt -105.58 -48.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 39.3 t80 -74.26 -6.21 46.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.452 ' C ' ' H ' ' A' ' 38' ' ' VAL . 41.5 ttm -102.22 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.69 -8.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.563 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 34' ' ' ILE . 93.2 t -102.28 -14.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.65 -33.58 75.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.538 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.76 -4.71 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -136.81 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.6 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.29 -31.19 0.04 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.97 -46.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 1.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -41.71 -34.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.551 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.32 -78.25 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -154.58 17.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.21 36.8 3.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -101.41 4.38 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 1.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.18 -29.34 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.66 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.17 11.9 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.648 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.673 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 3.0 t90 -97.38 -80.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.7 t -51.57 -31.14 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.313 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.78 -23.05 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.99 -27.48 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -65.64 -34.21 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.52 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 41.75 31.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 8' ' ' ASP . 82.5 t80 -167.3 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 9.5 t70 41.86 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.6 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p30 -69.56 9.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' H ' ' C ' ' A' ' 8' ' ' ASP . 0.8 OUTLIER 68.91 -65.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.538 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 58.93 149.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 41.11 30.45 0.42 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.9 -19.96 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 1.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -55.58 -22.75 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -48.15 -44.15 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.35 43.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.79 132.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.81 100.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 44.2 t -98.44 -5.27 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' THR . 13.2 mt-10 -145.5 -53.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.582 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -65.65 68.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.2 t -173.51 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -10.37 59.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.629 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.3 p-90 -141.5 -52.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.61 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 39.13 49.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p 79.78 123.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -86.27 52.84 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.78 -17.52 2.4 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.41 41.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 1.0 110.514 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.36 -1.89 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.87 -38.81 5.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.171 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 56.0 Cg_endo -86.67 8.46 4.42 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.467 2.111 . . . . 1.0 111.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -110.4 -26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 51.4 mt -111.65 -35.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.584 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -81.72 -22.11 37.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 tpp -88.72 -56.58 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.648 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 43.8 mt -57.56 -17.13 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.586 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 34' ' ' ILE . 95.3 t -100.8 1.77 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -100.92 -18.34 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -102.44 -7.75 21.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.01 10.07 3.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.59 -41.0 4.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 44' ' ' THR . 15.2 t -138.51 -43.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 1.0 110.572 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.45 ' N ' ' CG2' ' A' ' 43' ' ' THR . 4.6 m -54.08 -17.22 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.525 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.49 93.55 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -159.07 114.96 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.26 -20.55 2.45 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -89.79 -32.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 1.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 11.8 p -75.42 24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.479 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 48' ' ' LEU . 2.0 mt -134.42 -44.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.488 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CZ3' ' OG1' ' A' ' 52' ' ' THR . 3.0 t90 -86.8 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.34 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.516 ' OG1' ' CZ3' ' A' ' 51' ' ' TRP . 4.5 m -45.72 -17.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.502 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' N ' ' C ' ' A' ' 51' ' ' TRP . 5.6 t -82.48 -33.96 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' TRP . 7.2 t80 -45.97 -43.41 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' CD ' ' H ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.53 -38.23 22.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.517 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 8' ' ' ASP . 13.2 t0 -70.88 40.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 1.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.525 ' H ' ' C ' ' A' ' 5' ' ' GLY . 25.5 m-85 47.63 16.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.572 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.3 t70 -45.87 124.77 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 19.2 t30 -149.53 22.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 68.03 -66.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.566 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 64.59 141.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.49 40.32 2.74 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.57 -22.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.09 -22.93 43.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -34.75 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.09 41.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' CYS . 7.5 t -102.22 -172.1 2.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -58.75 78.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.515 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 79.2 m -147.68 71.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 66.55 31.0 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 60.5 m-85 -131.0 45.51 2.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.505 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -171.39 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.595 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.21 14.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' H ' ' C ' ' A' ' 22' ' ' THR . 12.0 p-90 -138.36 6.04 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.6 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 125.03 11.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -64.31 -62.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.501 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 77.42 -3.88 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.659 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.53 35.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.84 -57.52 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.782 0.325 . . . . 1.0 110.533 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.97 -6.04 21.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.652 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.08 -38.73 11.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.14 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -87.05 8.29 4.44 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.44 2.093 . . . . 1.0 111.766 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -112.67 -12.07 13.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.32 -63.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -59.91 -12.19 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.587 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.7 ttp -99.9 -45.67 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.561 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 19.5 mt -71.77 13.41 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' MET . 93.8 t -131.69 -13.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.59 -29.37 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -5.67 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.298 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.55 73.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -19.06 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 44' ' ' THR . 8.7 t -136.25 -46.98 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.8 m -46.8 -32.32 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.02 27.31 0.72 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -141.51 75.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 1.0 110.625 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.43 -40.07 0.18 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 mm? -69.84 -174.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.587 0.232 . . . . 1.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 9.2 p 38.92 22.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.769 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mt -138.96 -35.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -101.02 -45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.406 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -67.48 -12.37 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.8 t -76.91 -37.78 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.722 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -74.16 19.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.6 mtp85 -130.51 -20.1 2.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 43.99 21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' GLY . 39.9 m-85 41.93 61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' OD1' ' CD1' ' A' ' 11' ' ' TYR . 23.5 t70 -59.21 134.31 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.637 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.631 HD22 ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -154.68 -36.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.592 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' ALA . 37.8 m-85 -42.22 -26.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CD1' ' OD1' ' A' ' 8' ' ' ASP . 3.3 m-85 -37.57 -71.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -51.44 -25.17 12.47 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 41.12 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 1.0 110.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -51.76 -25.04 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -44.86 -34.34 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.631 ' NE2' HD22 ' A' ' 9' ' ' ASN . 3.5 mt-30 -101.68 41.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -139.01 -168.96 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -42.31 101.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 20' ' ' GLU . 8.3 t -152.68 -63.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 63.6 mm-40 -137.86 11.18 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 64.6 m-85 -98.34 14.46 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.62 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' TRP . 10.2 t -171.81 -37.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.509 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.44 45.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.649 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.2 p-90 -157.17 -59.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.2 mttt 42.07 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.622 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . 68.9 m -94.66 -75.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER 71.29 -12.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -146.57 12.34 1.54 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.81 1.35 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.709 0.29 . . . . 1.0 110.641 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.0 -19.51 5.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -90.41 -39.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.196 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 59.6 Cg_endo -86.63 17.46 1.75 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.406 2.07 . . . . 1.0 112.155 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.19 3.1 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.514 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.8 -45.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -26.38 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.4 ttp -81.47 -36.29 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LEU . 14.1 mt -75.4 31.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.596 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' MET . 92.1 t -139.3 -26.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.0 t80 -68.75 -22.17 64.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.424 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 -1.84 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' LEU . 32.0 tp -147.09 70.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.63 -24.58 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -139.86 -29.94 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.356 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 44' ' ' THR . 10.5 m -64.31 -9.6 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.12 -41.6 2.82 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 1.9 t30 -104.28 -9.61 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.74 0.305 . . . . 1.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.91 37.09 0.74 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 46' ' ' ASN . 4.1 mm? -98.83 -4.02 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 1.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -30.72 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.67 4.82 52.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 1.0 110.508 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.663 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 6.2 t90 -92.37 -70.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -56.15 -46.6 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.564 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.98 -41.28 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.566 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -51.46 -43.5 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 1.1 mpt_? -65.74 -29.94 70.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.559 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.88 40.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 1.0 110.73 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -160.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.553 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.36 104.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.573 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.41 23.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 67.8 -66.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.552 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.2 t80 67.22 131.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 48.4 5.09 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.81 -23.85 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.586 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -55.13 -32.42 62.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.622 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.56 -44.47 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -95.64 42.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' CYS . 8.8 t -140.38 -165.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -41.63 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.9 t -148.56 86.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 40.4 mm-40 60.19 8.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 67.4 m-85 -101.49 41.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.472 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 175.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.591 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -11.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 17.1 p-90 -150.52 -48.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.74 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER 41.21 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.598 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 8.0 m -166.33 119.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.625 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.446 ' H ' ' CD1' ' A' ' 31' ' ' ILE . 26.3 t -75.56 2.46 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 137.88 38.21 0.13 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 76.61 15.73 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 1.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.82 1.7 37.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.601 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.587 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.78 -40.19 3.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.3 Cg_exo -57.95 -34.79 98.79 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.19 1.927 . . . . 1.0 112.04 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.92 -64.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.78 -32.71 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 24.2 t80 -77.67 -26.17 50.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.4 ttm -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -75.19 24.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 36' ' ' MET . 52.1 t -143.5 21.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.388 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -108.73 -40.7 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.213 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.59 -2.49 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.326 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.05 -23.49 3.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.62 -25.98 70.64 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -61.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 1.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -48.53 -27.76 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.442 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.44 75.19 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 41.94 89.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 1.0 110.511 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.07 -31.04 2.59 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -59.75 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 1.0 110.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.52 -17.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.95 -4.63 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -92.37 -55.88 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.542 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -50.36 -47.51 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.596 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.63 -28.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -54.87 -36.65 65.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.573 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -94.31 -37.3 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 t70 48.31 12.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 1.0 110.797 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 2.9 p90 177.29 17.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -154.06 35.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.481 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 6.4 m-85 64.91 -69.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.609 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.7 t80 76.09 101.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.43 -54.98 1.58 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 46.84 41.96 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 45.4 22.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.1 t30 -95.39 -28.21 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -137.66 42.45 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.4 t -142.61 -165.97 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -53.06 88.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' SER . 41.0 t -90.1 -58.25 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.88 3.31 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -86.12 56.19 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.9 p -147.41 -36.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -71.25 -65.52 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 11.8 p-90 -72.58 49.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.706 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 0.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.528 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 24' ' ' TRP . 8.6 m -168.8 113.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -3.73 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 131.45 33.41 0.45 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.54 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 1.0 110.438 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.38 17.11 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -77.6 -33.81 1.08 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.777 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.4 Cg_exo -59.3 2.34 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.03 1.82 . . . . 1.0 112.16 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.98 -48.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.678 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.19 -71.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -48.64 -31.29 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.421 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.87 -68.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.71 47.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.0 t -145.96 -30.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 2.2 t80 -86.2 -33.74 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.86 8.55 11.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.49 9.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.9 -31.39 5.41 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 44' ' ' THR . 9.3 t -139.76 -46.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 1.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.3 m -56.68 -36.94 70.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.1 -40.57 7.34 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.21 104.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 1.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.94 42.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 50' ' ' LEU . 46.8 mt -116.97 -27.01 6.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.852 0.358 . . . . 1.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 9.4 p -77.48 13.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.523 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -142.31 6.3 1.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.705 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.85 -60.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.461 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.531 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.42 -45.62 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' N ' ' CG2' ' A' ' 52' ' ' THR . 24.0 t -47.09 -20.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.57 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -72.12 -66.45 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.708 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -48.04 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -4.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.524 ' C ' ' H ' ' A' ' 9' ' ' ASN . 34.9 t80 -60.4 -38.95 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -74.61 25.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 7' ' ' PHE . 15.3 p-10 -60.19 -23.87 64.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -141.14 -59.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 t80 62.83 137.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.76 31.25 57.83 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -83.46 -40.96 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 1.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -57.74 -5.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' ALA . 2.8 m120 -55.94 -39.58 71.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.03 42.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -156.02 -166.14 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.88 88.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' SER . 42.0 t -101.09 -47.99 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -143.24 54.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.554 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -142.85 19.35 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -174.13 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -16.25 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 9.0 p-90 -99.95 26.27 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.11 146.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -101.15 90.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.2 p -54.72 -12.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.35 62.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.27 39.65 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 1.0 110.557 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.55 -24.25 3.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mp -67.29 -40.09 24.99 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.86 -38.14 93.67 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.248 1.966 . . . . 1.0 111.966 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.98 -38.42 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 3.9 t80 -70.73 -34.24 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.51 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.1 mmm -65.22 -54.03 35.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.16 -18.84 65.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -102.05 -10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 t80 -68.5 -33.62 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.487 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 -4.58 26.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.508 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.23 58.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.67 -30.64 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -128.38 -47.06 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.853 0.359 . . . . 1.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -41.73 -29.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.51 -74.1 0.37 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 t30 40.47 91.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 1.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.53 -25.41 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.598 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -108.58 0.25 20.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.799 0.333 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -101.57 29.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -161.77 -33.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -86.32 -76.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.805 -179.698 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.2 t -53.81 -11.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.688 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 51' ' ' TRP . 69.1 t -90.8 -21.0 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -59.54 -25.0 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.698 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -19.18 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.628 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.614 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -5.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 1.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.493 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -54.83 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.602 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.61 132.25 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -99.78 -36.3 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.48 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -90.13 -79.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.594 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.75 150.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' OD1' ' A' ' 15' ' ' ASN . . . 41.22 32.94 0.72 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -69.28 -34.68 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.0 110.523 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.02 -10.25 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 12' ' ' GLY . 16.9 m120 -61.08 -33.98 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' OE1' ' OH ' ' A' ' 21' ' ' TYR . 2.4 mm100 -102.4 41.43 1.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' CYS . 36.3 m -101.82 -170.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.494 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.56 80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -148.11 -37.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.22 24.79 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.413 ' OH ' ' OE1' ' A' ' 16' ' ' GLN . 78.6 m-85 -140.45 28.63 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -164.96 -35.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.53 -76.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.7 p-90 -41.93 -49.17 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 39.13 -90.65 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.986 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -97.67 -70.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.53 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.72 -16.43 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.657 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.51 4.4 3.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.71 -24.09 3.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.637 0.256 . . . . 1.0 110.745 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.64 -26.36 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.316 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -75.28 -33.87 1.51 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.699 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.3 Cg_exo -60.07 3.45 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.019 1.813 . . . . 1.0 112.194 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.3 -70.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.721 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mt -41.26 -21.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' ALA . 82.7 t80 -83.74 -38.63 21.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 tpp -63.26 -44.9 93.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.38 -28.41 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.49 -6.6 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' TYR . 86.2 t80 -67.86 -34.26 76.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -5.56 24.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.14 68.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -27.16 0.08 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 t -137.93 -21.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 44' ' ' THR . 8.6 m -75.73 -11.46 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.94 -15.23 58.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.84 6.73 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 1.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -91.39 7.08 80.64 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 50' ' ' LEU . 70.6 mt -100.43 -36.6 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -8.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.53 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.4 mt -102.85 -51.98 3.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.498 ' C ' ' H ' ' A' ' 53' ' ' VAL . 1.2 t90 -80.71 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 52' ' ' THR . 20.6 m -51.21 -10.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.493 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.498 ' H ' ' C ' ' A' ' 51' ' ' TRP . 5.3 t -100.18 -29.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.9 -11.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -102.05 -18.93 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.495 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -4.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 1.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.512 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.1 m-85 -55.84 -73.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -42.46 126.52 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -153.43 -38.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -89.78 -65.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.531 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 72.8 t80 51.27 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -63.41 -55.78 23.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 50.74 -173.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 1.0 110.508 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -50.67 -31.05 15.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -53.95 -35.68 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.87 53.55 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' GLU . 16.8 t -155.72 115.24 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 10.0 pt-20 33.1 48.9 0.16 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.447 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 1.7 t -72.56 -77.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 66.8 mt-10 -142.93 21.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.587 ' CA ' ' HE1' ' A' ' 24' ' ' TRP . 80.8 m-85 -107.62 -16.58 14.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.0 p -133.72 -32.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.714 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.6 -20.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.783 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.587 ' HE1' ' CA ' ' A' ' 21' ' ' TYR . 1.3 p-90 -103.76 -96.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 31.3 mttm 55.73 18.86 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.628 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.3 m 163.04 136.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.601 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.8 p -79.17 55.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.612 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.25 -17.25 2.51 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.131 -0.787 . . . . 1.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.5 23.93 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 1.0 110.667 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -107.1 -10.72 15.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.672 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -75.35 -38.9 2.92 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.182 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.7 -12.57 22.08 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 111.762 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -52.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.503 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 5.2 mt -63.07 -52.08 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -52.88 -28.29 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.58 -64.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.586 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -72.25 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' H ' ' C ' ' A' ' 36' ' ' MET . 18.3 t -137.33 -21.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -38.67 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.504 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.55 2.74 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.72 -34.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.01 -43.08 16.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 44' ' ' THR . 8.3 t -148.68 -47.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 1.0 110.606 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 44' ' ' THR . 7.2 m -57.03 -10.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -59.59 -27.6 63.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 16.6 m-80 -156.9 -64.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.594 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 126.35 9.12 4.66 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? 45.03 16.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 1.0 110.571 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' GLY . 1.8 p -112.63 -27.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.17 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -105.09 -0.77 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 14.4 t90 -80.92 -85.95 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.519 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.43 -47.6 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -47.1 -53.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -33.11 54.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.522 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.583 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 14.7 mtt-85 -82.73 -32.25 28.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.558 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.536 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 2.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.322 . . . . 1.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 t80 -102.56 -21.53 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.551 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.43 123.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.599 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -138.85 -37.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 80.5 m-85 -42.39 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 86.9 t80 52.45 -90.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -44.69 -54.08 6.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 43.13 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 1.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.42 -20.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -70.76 0.69 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -138.15 42.13 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -138.71 142.19 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 44.54 45.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.609 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -138.25 -43.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.63 8.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -97.4 70.29 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -173.4 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.63 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.04 9.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.592 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.5 p-90 -141.87 -44.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 11.1 mmtp 52.31 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.645 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' TRP . 57.7 p -101.54 -69.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 1.3 m 51.77 17.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.25 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.52 -42.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.691 0.281 . . . . 1.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -103.41 -17.6 15.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -62.71 -40.27 62.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.781 -0.367 . . . . 1.0 111.026 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 3.9 Cg_exo -70.86 29.28 0.21 Allowed 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.297 1.998 . . . . 1.0 111.892 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -141.7 -45.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.788 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.93 -19.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -90.1 -30.29 17.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.412 179.728 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.492 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 1.1 ppp? -86.4 -23.87 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.481 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.93 -24.93 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 44.1 t -78.82 -8.83 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.31 -41.95 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 0.17 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.611 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.61 31.17 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.51 2.77 3.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.8 m -166.39 -50.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 1.0 110.357 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 44' ' ' THR . 20.5 m -56.89 -4.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.363 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -38.8 -75.66 0.09 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.92 130.47 0.4 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.802 0.334 . . . . 1.0 110.727 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 -39.13 3.0 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.838 0.351 . . . . 1.0 110.423 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.36 8.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.583 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -127.39 -0.01 6.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -97.44 -72.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.494 ' C ' ' H ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -50.66 -46.97 58.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.556 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.21 -6.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' H ' ' C ' ' A' ' 52' ' ' THR . 11.8 t80 -100.36 7.69 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -166.64 81.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.564 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.538 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER 44.31 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.535 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.28 -7.94 0.12 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.064 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -50.42 139.23 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 1.0 110.621 179.795 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 11' ' ' TYR . 3.2 t30 -143.22 9.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 m-85 70.83 -40.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.513 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 61.94 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.528 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -68.37 -63.17 3.7 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.34 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.632 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -51.1 -20.13 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.0 -39.09 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -99.19 41.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' GLU . 2.4 t -141.42 125.6 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.8 pt-20 33.11 48.08 0.14 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.377 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 51.53 69.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 3.1 p90 -141.0 7.55 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -156.48 -37.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 7.3 p-90 -93.04 8.77 38.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.534 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.08 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 93.44 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -52.12 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.53 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.456 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -99.82 -15.91 30.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 76.18 48.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.342 . . . . 1.0 110.713 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.5 19.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.774 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.8 mp -74.02 -34.36 2.02 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.491 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.8 Cg_endo -87.14 9.51 3.91 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 122.306 2.004 . . . . 1.0 112.02 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.85 -58.18 2.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 73.4 mt -74.49 -43.6 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -69.78 -18.45 63.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.507 ' C ' ' H ' ' A' ' 38' ' ' VAL . 36.7 ttm -92.88 -59.42 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.614 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 36' ' ' MET . 5.1 t -138.52 -36.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.524 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -67.75 -19.15 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.03 16.83 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.494 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.67 50.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.626 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 -26.76 0.08 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -123.91 -47.35 1.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -42.6 -30.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.51 -88.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -159.14 97.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 1.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.47 66.74 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.8 mt -135.44 -29.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 1.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.46 17.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -147.14 11.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.607 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.42 -65.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.556 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.6 t -75.68 -34.42 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.24 -31.53 53.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -12.31 59.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 19.2 mtp180 -94.99 13.51 24.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.593 179.999 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.21 4.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 1.0 110.646 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.512 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -77.67 -75.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.524 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.71 111.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -101.81 10.74 39.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' TYR . 4.3 m-85 67.94 -66.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t80 56.06 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 40.82 26.62 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -63.47 -27.46 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.825 0.345 . . . . 1.0 110.594 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.15 -7.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t-20 -66.21 -39.29 89.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.508 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -100.15 41.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 19' ' ' CYS . 5.7 t -92.42 -162.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.29 40.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.659 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.2 p -70.36 -59.43 2.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.524 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.0 mm-40 -127.98 -27.7 2.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.624 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -72.7 54.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.89 -48.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -62.98 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -59.59 -19.78 51.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -41.72 126.68 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.3 m -73.34 -73.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.18 -17.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.523 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -135.51 2.31 3.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.18 -6.4 4.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.655 0.264 . . . . 1.0 110.638 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -111.05 -11.57 14.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -89.81 -38.93 0.42 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.407 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.9 Cg_endo -82.38 28.12 0.58 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.228 1.952 . . . . 1.0 111.895 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.98 -51.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.276 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.16 -58.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.39 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -49.89 -23.8 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.4 179.913 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.484 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 7.6 ttm -89.51 -44.94 9.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.488 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.22 -16.44 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.445 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.0 t -102.23 -7.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 43' ' ' THR . 83.9 t80 -65.96 -28.71 69.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.4 -5.39 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.486 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -135.16 76.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.87 -14.18 0.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 39' ' ' PHE . 7.8 t -135.29 -48.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.571 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.6 m -54.76 -28.48 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.38 50.91 0.08 OUTLIER Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -63.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.0 36.89 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 4.1 mm? -103.93 -13.09 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 1.0 110.573 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.1 m -97.53 16.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.896 -179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.13 7.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 52' ' ' THR . 6.4 t90 -103.72 -80.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.522 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -65.29 -35.01 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.556 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.37 -21.28 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -78.99 -13.56 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 27.1 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.326 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -55.91 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 1.0 110.59 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 9' ' ' ASN . 10.2 m-85 62.66 -71.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' ASP . 2.5 m-20 -57.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -86.28 -1.02 57.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.1 m-85 64.63 -69.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 62.08 -71.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -57.01 -62.61 6.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.35 -91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.03 -45.19 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.598 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -52.19 -37.97 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.9 41.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 19' ' ' CYS . 50.1 m -139.19 140.2 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -54.4 83.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.5 p -77.49 60.28 2.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.6 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 41.77 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -144.72 22.77 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.606 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -166.43 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.12 -34.63 73.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.534 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.9 p-90 -97.07 -45.33 6.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.682 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.05 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.018 179.882 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 m 66.36 92.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -43.84 -62.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -136.69 9.19 3.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 81.22 55.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 1.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.2 pt? -144.74 29.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -78.74 -38.79 1.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.872 179.724 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 55.2 Cg_endo -86.59 10.65 3.54 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.427 2.085 . . . . 1.0 112.011 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.75 -27.87 7.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.39 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 66.0 mt -105.83 -49.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.1 -23.14 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 38' ' ' VAL . 74.1 mtp -92.04 -51.9 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.72 33.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.509 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.6 t -137.22 -16.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -104.16 -58.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -86.51 10.21 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.619 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.4 tp -140.0 -37.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.43 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.74 7.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 44' ' ' THR . 9.7 t -148.66 -46.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 1.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' CG2' ' A' ' 43' ' ' THR . 7.2 m -58.09 -12.96 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.02 -19.74 3.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 15.7 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 1.0 110.612 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.43 14.05 58.81 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -92.51 -1.99 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 1.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 75.2 t -103.15 -4.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.626 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.25 12.05 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.646 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' THR . 18.6 t90 -99.66 -84.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 10.0 t -60.54 -31.13 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.16 -39.63 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.72 29.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -137.83 -33.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -4.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 1.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -60.34 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.655 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.66 119.47 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -158.94 -44.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.587 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -87.13 -35.82 18.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.06 -66.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.538 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.39 65.0 2.52 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.2 -36.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.05 -21.88 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -53.13 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -94.37 43.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -143.55 -162.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.566 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -137.91 33.29 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.472 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 -36.2 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 61.2 m-85 -82.68 -49.81 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.7 p -46.99 -33.4 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.03 -22.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.0 p-90 -140.51 -74.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 3.5 mtmt 40.23 94.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 1.0 110.781 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -90.48 82.5 5.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.559 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -43.39 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -108.54 -3.44 32.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 83.18 49.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.954 0.407 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -140.61 27.0 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.172 179.404 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -74.73 -34.6 1.83 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.666 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.6 Cg_endo -83.41 27.78 0.6 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 122.017 1.811 . . . . 1.0 111.83 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.39 -67.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.163 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.563 ' H ' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -67.07 -48.36 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.011 179.696 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.39 -20.7 64.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.514 ' C ' ' H ' ' A' ' 38' ' ' VAL . 23.0 ttm -88.45 -60.26 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.31 40.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.625 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.8 t -141.8 -24.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -89.2 -38.14 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.33 -1.7 28.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.639 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -142.38 15.33 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.67 13.37 2.21 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -158.57 -42.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 1.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -75.4 -25.23 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -36.48 7.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.95 4.65 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 1.0 110.605 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.24 24.49 2.07 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' ASN . 35.0 mt -101.99 -4.78 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 1.0 110.519 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -95.02 -3.26 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pp -130.5 -30.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.484 ' NE1' ' NE ' ' A' ' 55' ' ' ARG . 15.5 t90 -59.79 -72.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.86 -48.51 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.529 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.6 t -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.66 -27.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' NE ' ' NE1' ' A' ' 51' ' ' TRP . 15.6 mtt-85 -92.7 -59.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.496 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 179.97 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -4.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 1.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 p90 -165.45 30.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.05 138.05 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.547 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 43.2 t-20 -95.59 27.02 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.26 -66.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.592 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 71.46 -64.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.604 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.64 64.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -41.69 -28.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 1.0 110.579 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.13 -17.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.54 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.4 t30 -71.82 -54.08 11.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -98.07 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.567 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 19' ' ' CYS . 72.9 m -147.3 174.23 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 1.8 pt-20 -53.8 84.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 t -97.31 -40.27 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -146.22 55.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -137.89 12.87 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.532 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -149.32 -48.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.86 17.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.603 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 3.2 p-90 -143.17 20.99 1.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.63 116.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' OG ' ' A' ' 26' ' ' SER . 41.9 p -102.2 91.36 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.641 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.09 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -50.75 -27.53 13.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 1.0 110.679 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 17.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.799 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.99 -37.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.297 179.8 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_endo -84.9 5.16 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.23 -28.27 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.45 -56.74 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.14 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.01 -15.4 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' VAL . 38.1 ttm -91.75 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.6 t -137.39 -39.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -73.82 -16.01 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.2 2.27 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.559 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -145.48 32.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.93 24.95 0.11 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -174.16 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 1.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -84.4 -25.82 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.09 -27.37 0.41 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.54 18.01 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.03 30.97 8.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -93.9 2.88 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 1.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -100.11 -37.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.94 -0.18 47.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.67 -179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -51.93 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 1.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -38.16 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.35 -19.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CD2' ' N ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -68.92 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.564 -179.916 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.596 ' N ' ' CD2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -59.74 -2.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.152 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.79 -3.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.0 110.631 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -137.7 10.45 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.531 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 18.0 p30 -50.67 87.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.564 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 57.1 t30 -155.94 31.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 98.4 m-85 54.4 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.1 t80 73.59 143.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 32.07 2.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -50.5 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 1.0 110.531 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -25.78 7.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -34.98 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -101.3 41.73 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 41.8 t -156.16 -168.17 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' OG ' ' A' ' 17' ' ' SER . 1.4 pt-20 -42.21 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' SER . 39.1 t -138.0 54.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.4 34.28 23.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.548 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -138.43 11.2 2.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.541 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' TRP . 9.0 t -158.15 -36.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.619 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -6.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 22.1 p-90 -139.4 37.62 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.9 tpmt? -70.02 94.49 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.555 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p 80.12 131.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.4 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.7 m -72.67 17.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 139.92 -4.1 2.63 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 80.85 27.05 0.23 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.709 0.29 . . . . 1.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.29 -3.05 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -69.69 -35.39 5.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.442 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -65.37 -19.26 61.59 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.901 1.734 . . . . 1.0 112.152 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -105.0 -71.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.99 -179.638 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -40.85 -28.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.64 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 38.4 t80 -85.57 -73.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.767 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 36' ' ' MET . 3.6 ppp? -41.88 -24.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.745 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' TYR . 5.6 mt -72.62 -49.97 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.3 t -57.89 -27.4 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.99 -52.96 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.582 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.96 -6.13 15.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.91 26.11 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -140.08 5.73 2.77 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -165.02 -36.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 1.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 m -73.48 -25.77 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.26 -59.94 2.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -105.39 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 1.0 110.619 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.32 -36.0 0.1 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.9 pp -100.99 -20.23 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 1.0 110.734 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.94 -10.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.7 mp -88.84 7.14 35.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.747 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -114.74 -34.49 5.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.482 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -41.77 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.547 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.84 -18.59 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -87.87 -7.58 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.512 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.74 -32.07 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.616 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.588 -179.973 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -44.72 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 1.0 110.552 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 21.8 p90 -138.21 118.05 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.616 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -164.48 -174.91 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.56 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.2 t30 48.12 12.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.733 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 74.3 m-85 -158.27 -39.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 53.4 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -65.64 -68.96 1.47 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 66.68 36.83 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 1.0 110.571 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER 44.56 18.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.498 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ALA . 2.4 t-20 -84.15 -44.4 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -101.14 42.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -138.76 125.73 21.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 41.69 48.26 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 t -98.01 51.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 48.81 40.03 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.63 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 8.9 p90 -105.43 18.76 21.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.56 -39.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -64.85 -67.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.7 p-90 -45.87 -39.43 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.71 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 40.21 -129.03 0.38 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.504 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 6.5 m -166.88 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.3 m -59.45 -4.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.264 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 132.12 33.76 0.4 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.71 24.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 1.0 110.44 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.14 18.0 21.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.315 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -79.49 -33.63 0.84 Allowed Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.751 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 64.0 Cg_endo -87.58 23.46 0.8 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 122.333 2.022 . . . . 1.0 112.176 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.48 -35.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 95.7 mt -91.05 -57.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.98 -15.24 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.7 mtp -88.76 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.86 38.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.534 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.1 t -137.88 -18.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -103.82 -54.38 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.54 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.36 12.57 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -146.45 -38.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.96 -34.07 2.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 t -139.54 -36.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 44' ' ' THR . 7.7 m -72.68 -10.59 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.409 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.72 16.5 8.11 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -160.03 121.47 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 1.0 110.616 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.29 -44.75 1.41 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -107.88 45.26 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.787 0.327 . . . . 1.0 110.323 179.919 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.91 6.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.3 mp -130.34 -3.04 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -34.06 7.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.532 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 t -93.42 -14.82 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.594 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.0 t -92.31 -16.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.4 m-85 -86.24 -7.77 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 -46.07 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.5 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.79 2.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 1.0 110.582 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' H ' ' C ' ' A' ' 5' ' ' GLY . 8.8 t80 -102.32 -58.42 1.88 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.59 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.09 131.65 48.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 t-20 -138.16 -44.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 77.1 m-85 -157.28 -43.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 67.16 126.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.89 33.4 56.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.56 -35.9 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.68 -15.78 2.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -100.62 42.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.1 173.92 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -45.64 105.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.69 -39.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.579 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -149.22 38.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.573 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -139.17 13.91 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -172.17 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.56 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 27.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 7.8 p-90 -159.82 30.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -48.34 -59.39 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 27' ' ' SER . 83.9 p -160.13 -76.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.513 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 74.24 29.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.825 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.06 14.71 2.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.06 -64.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 1.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.54 -2.47 32.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.15 -38.27 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.159 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.2 Cg_endo -87.28 22.46 0.92 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.454 2.103 . . . . 1.0 111.785 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.23 -32.52 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.468 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.3 mt -101.62 -35.15 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.02 -32.73 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.9 tpp -76.9 -48.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -74.68 20.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' GLY . 63.2 t -138.95 -25.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.11 -44.74 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.4 8.21 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mt -137.38 4.02 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -84.53 -35.14 14.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -149.47 -32.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 46' ' ' ASN . 1.9 m -66.88 -46.82 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.03 -12.29 1.77 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -142.37 92.48 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.07 -35.06 1.09 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -100.06 8.77 43.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.6 -22.78 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -99.48 -14.3 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.686 ' HE1' HH21 ' A' ' 55' ' ' ARG . 0.9 OUTLIER -84.81 -71.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.591 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.9 t -47.96 -21.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.606 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 55' ' ' ARG . 5.5 t -83.95 -27.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' TRP . 18.2 t80 -69.93 9.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.123 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.686 HH21 ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -103.46 -46.56 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.811 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' PHE . 3.1 t0 41.99 21.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 60.67 124.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.59 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.82 97.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.538 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 11' ' ' TYR . 11.3 t-20 -127.88 -19.31 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 68.66 -39.39 0.41 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.683 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' H ' ' C ' ' A' ' 9' ' ' ASN . 3.8 t80 53.27 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 1.0 110.686 179.716 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 40.48 29.49 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -71.25 -155.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.531 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 46.44 15.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.497 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.466 ' H ' ' C ' ' A' ' 13' ' ' ALA . 17.1 t-20 -95.69 -35.46 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.387 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -107.01 39.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.51 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 m -140.45 165.76 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 3.1 pt-20 -54.3 108.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 29.9 t -93.67 -59.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 62.2 mt-10 -149.73 35.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -103.7 5.0 35.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.11 -46.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 19' ' ' CYS . 3.1 p-10 -75.37 28.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.5 p-90 -133.8 7.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.51 111.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.498 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 1.7 m -101.73 90.9 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -76.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.578 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -75.03 -10.82 84.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 80.32 41.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.779 0.323 . . . . 1.0 110.812 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.4 16.92 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.881 179.657 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -71.12 -36.9 5.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.024 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.3 Cg_exo -61.2 -17.56 53.26 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.053 1.835 . . . . 1.0 111.757 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -87.17 -80.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.651 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -33.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.692 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -73.83 -38.4 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' VAL . 13.0 ttm -62.83 -35.51 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.21 19.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' MET . 46.1 t -138.99 -13.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -79.36 -58.41 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.6 7.64 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -135.08 4.2 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.598 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.02 -39.7 8.43 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 44' ' ' THR . 6.2 t -146.58 -39.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.742 0.306 . . . . 1.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.4 m -59.0 -26.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.552 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 41.45 2.34 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -35.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.722 -179.819 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . -135.11 -143.11 4.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 50' ' ' LEU . 60.2 mt 61.28 -67.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.526 0.203 . . . . 1.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 47' ' ' GLY . 9.3 p -71.23 29.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.274 . . . . 1.0 111.042 -179.605 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.8 pp -174.76 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.3 t90 -86.49 -80.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.582 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -54.53 -11.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 1.0 110.694 -179.702 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.421 ' H ' ' C ' ' A' ' 51' ' ' TRP . 7.2 t -91.73 -33.11 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 56.9 t80 -68.91 -6.05 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.585 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -93.57 -33.01 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.483 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 mttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.526 -179.975 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -59.39 77.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.693 0.282 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -167.21 -41.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.548 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.444 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 6.4 t0 -55.35 119.07 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' TYR . 29.4 t-20 -139.62 6.24 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m-85 55.41 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 t80 78.62 -65.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.46 36.6 0.98 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -78.36 -151.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 1.0 110.529 -179.934 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.82 -9.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.626 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.96 -5.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 14' ' ' ASP . 25.7 mt-30 -136.62 43.23 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -149.16 133.9 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.6 pt-20 33.11 40.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.305 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -67.3 -61.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -141.4 70.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -148.45 16.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.17 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -40.62 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.618 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.427 ' CD2' ' C ' ' A' ' 24' ' ' TRP . 9.2 p-90 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.559 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 18.8 ttmt -40.38 116.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.4 m -75.51 -79.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.533 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.6 p 78.39 -14.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.627 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -153.75 15.38 0.62 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.52 -68.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 1.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.17 4.16 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -65.16 -40.97 49.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.72 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.3 Cg_exo -59.73 -47.34 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.289 1.993 . . . . 1.0 112.059 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.33 -33.0 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.46 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.7 mp -93.82 -33.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -78.61 -59.81 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.362 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' PRO . 41.9 ttm -49.31 -51.68 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.479 179.726 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.13 15.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.825 -179.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 36' ' ' MET . 38.8 t -136.47 -14.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.475 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 48.8 t80 -69.57 -15.8 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.21 -6.29 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.96 76.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -18.69 0.36 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 45' ' ' GLY . 13.1 t -137.29 -44.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.444 ' N ' ' CG2' ' A' ' 43' ' ' THR . 5.1 m -52.82 -9.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.27 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 113.38 0.83 24.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 40.37 62.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.71 41.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.95 -47.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.569 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.96 -16.94 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.619 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.9 pp -109.56 1.6 19.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' ' 52' ' ' THR . 24.7 t90 -87.51 -100.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -40.46 -33.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.476 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.11 -51.61 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.9 m-85 -53.94 -20.51 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.294 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 tptp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.529 -179.958 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 1.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 17.9 p90 -139.91 -22.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.08 106.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 7' ' ' PHE . 3.8 m-20 -100.59 -50.13 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -137.94 -33.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' A' ' 13' ' ' ALA . 15.5 t80 64.52 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.83 -28.79 3.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -86.36 -18.74 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.616 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.26 -14.09 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.96 -36.35 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -101.33 42.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.52 153.35 23.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 45.25 40.49 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 1.3 m -128.5 79.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.222 179.833 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.0 mm-40 57.07 15.13 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 61.9 m-85 -105.78 94.25 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.196 179.686 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.632 ' H ' ' HE1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 69.82 -12.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.475 -179.76 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' TYR . 1.2 p30 -85.23 27.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.553 179.789 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.632 ' HE1' ' H ' ' A' ' 22' ' ' THR . 4.8 p-90 -142.66 -67.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 25.4 mmtt 52.19 10.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.7 p 174.34 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.34 -2.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -166.4 23.52 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.54 -27.65 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.63 3.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.3 mm -75.43 -35.73 1.92 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.27 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.9 Cg_exo -61.33 -3.99 3.71 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.079 1.852 . . . . 1.0 111.925 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.72 -77.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.698 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -64.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.683 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -51.98 -45.06 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.629 -179.932 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.597 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 14.5 ttp -61.8 -34.95 76.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.54 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LEU . 11.3 mt -74.78 38.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.534 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' MET . 57.9 t -136.74 -36.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.562 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 5.1 t80 -63.2 -22.05 66.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.53 5.16 3.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.217 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 37' ' ' LEU . 5.8 tp -152.6 69.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.51 -23.02 0.11 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 45' ' ' GLY . 10.1 t -130.86 -44.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 1.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.3 t -52.41 -10.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.075 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 112.63 50.83 0.55 Allowed Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.84 81.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 149.67 -14.94 1.06 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -90.85 -22.89 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.495 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.58 20.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.532 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mp -132.31 -1.69 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.91 -59.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.557 -179.949 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -78.29 -34.12 49.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.604 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.84 -18.68 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.82 -14.66 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -95.49 -22.46 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mttm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.58 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 1.0 110.592 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 5' ' ' GLY . 90.0 m-85 -150.45 -117.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' PHE . 12.1 t70 41.81 92.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.7 t30 -132.1 -4.17 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 66.52 -35.94 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.169 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.558 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.0 t80 73.89 -145.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 1.0 110.49 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -40.25 -29.88 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.56 -71.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 1.0 110.645 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -47.52 -30.06 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.512 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.46 -38.3 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -100.74 41.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.0 m -87.14 91.34 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' SER . 17.4 pt-20 33.22 42.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.362 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -83.86 -53.99 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 2.4 pt-20 -174.76 27.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.449 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 36.2 m-85 -102.54 31.7 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 24' ' ' TRP . 10.1 t -172.34 -32.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.593 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.9 26.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 7.3 p-90 -138.72 -59.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 6.1 mtmt 40.8 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.611 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.13 116.1 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -73.73 56.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 97.45 10.65 53.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.69 17.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mp -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 1.7 mp -67.9 -59.83 6.08 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.285 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 10.0 Cg_endo -51.43 -13.95 1.58 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.816 1.677 . . . . 1.0 112.098 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -94.86 -75.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.0 mt -47.42 -33.8 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -72.54 -27.06 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.505 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.0 ttp -77.53 -44.35 28.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.48 16.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.6 t -136.95 -22.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.3 t80 -68.45 -39.07 81.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.52 3.01 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -137.7 21.03 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.599 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.46 8.58 3.44 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -163.0 -42.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 m -71.79 -16.5 62.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.525 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.44 -58.09 5.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 41.86 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.98 -16.43 0.61 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -91.17 6.25 45.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 1.0 110.663 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 41.8 t -103.35 -9.89 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -132.38 14.5 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.493 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.8 t90 -100.7 -70.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.537 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 8.7 t -71.08 -32.41 69.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.525 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.2 t -64.04 -39.31 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.68 22.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.2 mtp180 -137.25 -26.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.88 -4.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 1.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -60.2 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -56.35 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -145.54 -40.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.22 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.602 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 83.8 t80 54.68 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.88 59.77 1.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.37 81.38 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 1.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 t0 45.43 17.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.527 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.7 m120 -101.56 -52.77 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 11' ' ' TYR . 2.7 mt-30 -103.66 40.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.87 82.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 46.73 43.71 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -40.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.451 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -150.83 20.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 25' ' ' LYS . 4.7 p90 -83.06 -0.36 48.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.585 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' TRP . 13.9 p -101.98 -30.93 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.51 179.79 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' HG1' ' A' ' 22' ' ' THR . 5.5 t70 -41.94 -21.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.366 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p-90 -150.14 109.99 4.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.442 179.838 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 21' ' ' TYR . 8.8 mmtp -114.48 6.86 16.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -172.6 126.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -19.22 15.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.73 15.36 1.99 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.77 28.59 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -135.41 -34.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' C ' ' H ' ' A' ' 33' ' ' ALA . 6.2 mt -47.96 -59.7 5.41 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.335 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.27 -7.85 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.804 1.669 . . . . 1.0 112.089 179.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -95.39 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -19.64 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.78 -38.74 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 38' ' ' VAL . 19.5 ttm -63.03 -41.59 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.503 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.37 38.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' A' ' 36' ' ' MET . 21.5 t -137.93 -34.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -2.98 40.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.63 31.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.53 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -163.88 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 -30.12 11.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' N ' ' A' ' 44' ' ' THR . 14.6 t -99.58 -43.19 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 1.0 110.597 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.2 t -79.68 -28.76 40.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.536 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -80.22 -48.1 6.62 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -158.84 95.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 1.0 110.555 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.13 31.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 -4.55 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 1.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 86.5 t -97.87 -2.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 2.0 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.4 t90 -102.06 -53.49 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.531 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -42.26 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.46 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.59 -27.44 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -57.9 -67.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -58.05 -28.44 64.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.84 -25.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 1.0 110.633 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 36.4 p90 -167.03 -53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.565 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 9.8 t70 42.9 94.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.5 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' TYR . 68.8 m-85 -92.64 -55.58 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 12.3 t80 55.77 161.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.613 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 41.18 30.75 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -74.98 -162.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 1.0 110.588 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -5.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.72 -36.85 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.493 -179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.05 41.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -151.01 -172.03 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 3.0 mp0 -57.23 97.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -102.79 92.02 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.557 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 12.1 mt-10 52.79 24.72 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 35.5 m-85 -97.23 -7.61 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.487 ' C ' ' H ' ' A' ' 24' ' ' TRP . 8.4 t -173.24 -32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.589 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.39 35.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.5 p-90 -149.95 -53.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.562 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 29.8 mmtt 42.9 -99.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' A' ' 27' ' ' SER . 88.3 p -165.69 -72.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.617 ' H ' ' HG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.53 18.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.788 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.07 2.92 2.94 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.88 64.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.018 -0.273 . . . . 1.0 110.897 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.11 4.91 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.353 179.692 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.6 mt -69.63 -35.79 6.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.801 179.345 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.2 Cg_exo -65.2 -13.52 40.22 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.882 1.721 . . . . 1.0 111.551 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.51 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -58.22 -68.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.668 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -41.43 -31.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.68 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.532 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 6.0 ttp -80.74 -43.44 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -5.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 36' ' ' MET . 99.1 t -102.72 2.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.61 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 1.3 t80 -102.37 -72.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.57 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 39' ' ' PHE . 1.8 pp -57.3 -21.58 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -24.26 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.53 -51.91 5.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -153.58 -18.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 1.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ASN . 10.8 m -83.26 -11.32 57.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -48.5 -11.53 0.15 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 42.38 38.72 1.27 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 109.886 -179.712 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . 58.51 116.14 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.319 -1.113 . . . . 1.0 110.319 -179.658 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 50' ' ' LEU . 6.1 mp -52.56 -10.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 1.0 109.831 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.529 ' H ' ' C ' ' A' ' 47' ' ' GLY . 4.5 m -54.41 -8.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.292 179.524 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 48' ' ' LEU . 93.4 mt -106.78 21.5 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.643 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 2.0 t90 -126.72 -51.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 t -76.95 -33.23 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 55' ' ' ARG . 55.6 t -59.56 -36.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -72.61 15.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.643 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -139.05 1.18 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.549 -179.981 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.28 -9.21 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 1.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 9.1 t80 -55.36 -12.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -3.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.497 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 11' ' ' TYR . 34.1 t30 -101.65 4.79 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 72.03 -32.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.781 -179.862 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER 66.36 -152.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 -179.916 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.16 81.08 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.63 -0.988 . . . . 1.0 110.63 179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.16 -55.7 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.83 0.348 . . . . 1.0 110.699 -179.534 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -58.35 -30.51 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.84 -31.82 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -102.65 41.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.488 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 m -94.6 49.47 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 44.83 44.81 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.587 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.77 -64.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 48.3 mt-10 -144.34 62.93 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.512 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.4 m-85 -145.45 31.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -170.89 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -86.31 39.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.562 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 5.3 p-90 -168.55 25.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -41.51 -36.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.48 108.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -84.36 48.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.647 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 150.49 -38.55 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 83.24 48.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.815 0.341 . . . . 1.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.4 pt? -158.49 19.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.486 179.335 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.69 -38.29 7.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.29 179.809 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_endo -84.4 16.54 1.92 Allowed 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.289 1.993 . . . . 1.0 112.039 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -123.54 -21.39 5.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.5 mp -105.77 -63.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -46.29 -38.22 8.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.547 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 tpp -78.01 -50.74 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.645 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 48.2 mt -75.38 30.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.637 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 35.3 t -144.72 -22.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.601 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.1 t80 -77.94 -48.18 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.484 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.23 7.94 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.37 15.78 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 0.68 3.69 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -149.97 -50.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 1.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 44' ' ' THR . 6.8 m -63.93 -12.1 34.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.92 -64.03 1.35 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -159.01 -109.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 1.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . -62.25 -130.42 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt 64.68 -7.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.578 0.228 . . . . 1.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.6 -29.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.853 -0.425 . . . . 1.0 109.853 179.479 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.18 3.9 6.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.994 178.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 14.1 t90 -84.58 -81.72 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.16 -50.56 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.696 -179.881 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 55' ' ' ARG . 39.5 t -49.37 -43.31 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -73.3 14.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 53' ' ' VAL . 23.9 mtp85 -138.07 -25.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' NZ ' ' OG1' ' A' ' 52' ' ' THR . 22.1 mmtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -2.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -137.28 -27.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.631 179.922 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.5 t0 -45.28 132.8 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.629 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 37.2 p-10 -89.79 -40.52 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 82.9 m-85 -153.4 -79.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 t80 70.61 -66.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.09 30.85 1.34 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -67.13 -155.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 1.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 46.35 15.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 8.6 t-20 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.4 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -106.07 39.82 1.72 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 -169.72 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.47 122.99 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.04 -53.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -141.65 32.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.493 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 54.9 m-85 -137.78 27.15 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.505 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 4.6 t -172.56 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.32 46.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 15.0 p-90 -163.47 -62.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.567 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.54 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.0 mmtt 48.14 73.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.57 124.95 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -44.02 23.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -138.7 4.35 3.0 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.61 42.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.72 15.94 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -77.02 -35.02 1.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 179.846 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.2 Cg_endo -86.88 12.62 2.93 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 122.383 2.055 . . . . 1.0 112.043 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -108.28 -27.8 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -65.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.513 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -53.8 -13.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 ttm -99.47 -68.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.473 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 53.9 mt -47.47 -46.65 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' GLY . 68.6 t -49.24 -32.08 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.531 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.42 -43.41 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.54 15.64 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -153.04 15.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.622 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -137.65 21.75 3.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 42' ' ' GLY . 1.8 m -177.28 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -54.78 -32.43 60.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -47.22 -62.95 3.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 40.07 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 1.0 110.828 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.46 -13.28 3.74 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -84.94 -8.05 58.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 1.0 110.441 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 m -100.71 -3.56 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.636 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -135.63 1.04 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.626 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.563 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 6.5 t90 -83.64 -74.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.507 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -46.98 -46.99 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.581 179.878 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.91 -22.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.31 19.77 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.563 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 24.7 mtt85 -135.16 -31.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' GLU . 11.5 tt0 -88.12 92.3 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' GLU . 5.0 mm-40 -52.94 -170.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.68 -4.2 3.29 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.96 -175.23 0.62 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.556 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -57.99 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 1.0 110.569 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.23 -7.44 0.12 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.04 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.556 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.8 t70 -45.29 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.0 110.582 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 18.8 t-20 -99.64 27.27 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.527 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 62.99 -70.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 69.45 149.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.23 30.88 0.49 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.14 -19.76 65.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.459 ' C ' ' H ' ' A' ' 16' ' ' GLN . 1.4 m-20 -56.99 -13.36 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -66.6 1.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 14' ' ' ASP . 23.3 mt-30 -138.89 41.76 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.487 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -140.08 165.02 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.577 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' N ' ' HG ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -51.08 89.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.3 m -139.06 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.583 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -141.22 40.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -139.68 6.22 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 t -138.44 -37.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -34.31 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.55 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 1.1 p-90 -94.44 8.13 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.554 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -32.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.497 ' C ' ' HG ' ' A' ' 27' ' ' SER . 2.5 p -159.23 -74.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.59 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.497 ' HG ' ' C ' ' A' ' 26' ' ' SER . 0.9 OUTLIER 73.04 -51.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.514 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.96 24.89 9.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.65 48.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 1.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.0 tp -172.22 -32.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.316 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -72.92 -35.47 2.91 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.412 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.24 -8.78 9.02 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.154 1.902 . . . . 1.0 112.017 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.03 -63.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -53.64 -30.9 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -82.61 -8.03 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 ttm -96.36 -31.62 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.22 -17.2 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.2 t -101.43 -3.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.556 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -75.14 -39.4 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.51 4.7 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -137.49 24.19 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 4.37 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -161.36 -57.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -50.51 -23.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.18 -75.87 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.1 m-80 -137.05 -110.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.643 0.259 . . . . 1.0 110.452 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.5 22.37 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ASN . 5.1 mt -135.9 -45.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -45.06 -17.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.1 mp -92.8 -45.18 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.514 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -50.51 -58.93 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.541 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.51 ' OG1' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -51.09 -47.3 61.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 53' ' ' VAL . 96.7 t -73.81 5.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.87 -18.5 22.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -95.51 -9.27 32.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.565 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLY . 30.3 mttp -96.8 -77.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.585 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.23 -69.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . 87.86 26.61 28.8 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -145.5 -106.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 1.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -167.98 28.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.58 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 59.41 35.48 23.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -144.29 153.64 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.601 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -164.58 44.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.586 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -92.29 86.16 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.33 166.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.78 5.47 3.11 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.79 100.48 0.5 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -26.26 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.6 p90 -138.83 -34.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 13.5 t70 -47.28 91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.521 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -138.2 -41.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.568 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -65.28 -47.41 76.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.69 145.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.24 37.72 4.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.83 -96.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 1.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -22.44 39.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.561 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -50.64 -36.81 37.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.21 41.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.582 ' HG ' ' H ' ' A' ' 18' ' ' GLU . 2.1 t -150.88 -162.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.582 ' H ' ' HG ' ' A' ' 17' ' ' SER . 2.4 mt-10 -57.42 80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' SER . 40.0 t -100.63 -36.98 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.553 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -149.89 52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -138.43 10.29 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' ' 24' ' ' TRP . 4.9 t -174.13 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.29 21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 33.0 p-90 -138.49 -53.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 28.8 mmtt 43.45 -94.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.561 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' TRP . 94.6 p -172.0 124.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.4 t -85.8 43.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.637 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 102.12 13.4 31.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 78.42 30.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 1.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.22 17.36 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.382 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -88.4 -39.38 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.096 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -59.62 2.35 0.3 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.29 1.993 . . . . 1.0 112.113 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.51 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -129.5 -59.9 1.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mt -47.66 -55.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -24.72 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 ttp -74.2 -27.89 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.1 mt -78.55 -24.37 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.11 -29.48 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.588 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 41.1 t80 -69.41 -22.85 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.82 26.79 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.7 tp -172.28 51.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.69 -23.76 0.1 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -125.73 -36.75 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.904 0.383 . . . . 1.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -57.47 -30.27 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.33 -63.9 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 1.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.89 34.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 50' ' ' LEU . 54.7 mt -105.92 -62.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 1.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -50.49 -10.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.516 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.2 mt -102.66 -21.72 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.524 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.502 ' CD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -85.78 -55.21 4.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 8.1 t -45.99 -32.9 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.52 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.92 -31.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' TRP . 2.3 t80 -60.98 -30.7 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.503 ' C ' ' H ' ' A' ' 57' ' ' LYS . 1.7 mpt_? -85.71 -36.81 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.609 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -8.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 55' ' ' ARG . 45.1 tttt -56.95 -40.49 76.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.588 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 -105.92 2.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.532 ' CG ' ' H ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -52.37 -99.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.532 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 38.9 t-80 -174.26 -73.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.615 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.6 140.94 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.565 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -145.27 81.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.626 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -171.39 58.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.587 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.72 41.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.66 142.46 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.13 42.54 76.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -170.14 73.28 0.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.68 -25.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 1.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -140.46 -39.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 31.3 t70 -48.09 165.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.7 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -50.02 -46.57 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.81 -158.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.19 -30.64 0.46 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.61 -166.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -30.96 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.04 -52.43 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -95.45 46.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.405 ' HG ' ' H ' ' A' ' 18' ' ' GLU . 5.4 t -139.7 166.07 25.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' H ' ' HG ' ' A' ' 17' ' ' SER . 1.3 mp0 -42.18 99.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.85 -30.61 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.1 mt-10 -138.04 -41.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.612 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.59 66.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -160.74 -48.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.585 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -64.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 p-90 -66.13 -19.12 65.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 117.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p -77.73 -74.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.611 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.75 -2.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.528 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -169.63 24.83 0.1 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.33 -64.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 1.0 110.563 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.96 17.25 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.9 mm -79.88 -35.57 0.95 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.46 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.2 Cg_exo -60.16 -15.81 36.41 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.162 1.908 . . . . 1.0 111.958 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.73 -59.08 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.8 mt -54.83 -64.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -43.03 -39.69 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.517 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 mmm -63.5 -58.93 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.05 31.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 36' ' ' MET . 23.9 t -138.56 -21.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 1.3 t80 -83.68 -40.69 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.15 -8.72 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.05 26.94 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.58 22.36 0.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -170.03 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -101.26 -32.31 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.614 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.1 -0.48 61.71 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.17 4.78 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 1.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.72 19.49 54.49 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.2 mt -135.21 -27.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 9.4 p -74.09 14.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.475 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -144.74 9.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.682 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -103.33 -52.88 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.545 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.1 t -80.56 -29.58 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.555 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.39 -40.11 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -14.58 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.633 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -102.24 5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -101.14 -74.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.591 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -55.76 -5.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -66.53 7.11 1.52 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.528 ' H ' ' C ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -130.2 8.0 5.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.771 0.32 . . . . 1.0 110.445 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.53 -56.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.39 148.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -101.34 171.53 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 24.7 t-80 -165.43 60.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.561 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -140.16 63.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -57.01 159.48 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.22 51.94 2.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -98.58 -39.22 3.72 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 42.27 23.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -143.67 -5.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.5 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -46.36 124.07 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -158.81 -47.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -52.4 -44.25 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 1.8 t80 69.66 -65.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.539 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.52 -31.65 14.7 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -42.73 -28.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 1.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 11' ' ' TYR . 3.3 p30 -49.1 -17.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -50.73 -35.11 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.613 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 41.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' CYS . 64.0 m -139.74 -168.15 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 16.0 p -101.28 -37.09 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.0 mt-10 -144.92 48.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -140.99 27.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.573 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -173.8 -34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -82.64 5.46 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' NE1' ' O ' ' A' ' 20' ' ' GLU . 7.2 p-90 -141.04 35.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 162.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -74.64 -74.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.626 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 74.37 -15.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.56 3.27 3.21 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.88 -7.9 5.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.631 0.253 . . . . 1.0 110.554 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.96 -12.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.413 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -89.27 -39.49 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.26 -18.07 42.95 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.273 1.982 . . . . 1.0 111.933 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.92 -55.39 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.94 -79.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -41.49 -44.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.3 ttm -51.88 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.67 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.5 -42.37 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.35 23.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.9 t80 -108.42 -33.69 7.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -82.63 -12.87 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.34 18.31 3.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.01 -14.9 2.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -142.66 -60.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -44.04 -26.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.587 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . -69.38 -48.63 43.73 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.76 20.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 144.21 35.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.7 mt -130.52 -34.54 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 1.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 p -87.81 -4.54 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.521 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -131.88 -3.37 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.663 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 4.4 t90 -86.19 -74.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -45.58 -46.27 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.545 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -49.74 -34.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -67.92 -22.28 65.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.522 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 17.3 mtt85 -99.05 -39.15 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 58' ' ' GLY . 31.9 mmtt -62.98 -32.29 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 68.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . -75.64 -12.79 83.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.577 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -178.54 -87.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 1.0 110.537 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -87.62 163.83 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -81.74 -50.79 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -63.34 168.33 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.527 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 79.5 t60 -174.28 68.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 45.07 63.86 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.539 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.69 157.65 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.99 -3.33 89.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.523 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 77.11 103.26 0.16 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -3.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.523 ' H ' ' C ' ' A' ' 5' ' ' GLY . 12.5 p90 -151.66 29.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.599 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 15.3 p-10 -51.62 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.587 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -153.81 -42.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.58 -31.1 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.503 ' C ' ' H ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER 70.84 -66.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.543 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.33 29.87 1.18 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -61.7 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 1.0 110.503 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 47.87 12.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.532 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.523 ' H ' ' C ' ' A' ' 13' ' ' ALA . 24.4 t30 -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.025 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.512 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -108.86 33.36 4.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.32 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -145.12 171.95 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.552 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.48 78.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.1 p -47.15 -61.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.633 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.419 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt-10 -136.9 4.1 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -81.31 60.29 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.638 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -174.87 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -76.7 61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 26' ' ' SER . 67.4 p-90 -174.18 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.719 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.3 mmtt -39.33 91.51 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 79.26 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.466 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -92.0 42.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 154.19 -22.26 0.67 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.996 -0.841 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 42.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.97 2.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -78.88 -39.42 1.5 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.164 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.8 -5.71 3.86 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.24 1.96 . . . . 1.0 111.939 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.04 -80.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -41.72 -32.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.583 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -76.67 -51.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.75 -24.35 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.59 -9.64 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.4 t -93.97 -7.95 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.01 -33.18 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.492 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.22 -5.24 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.589 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.37 70.12 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -19.31 0.22 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.518 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.5 m -125.66 -37.79 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 1.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.2 t -50.34 -11.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.511 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.518 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -39.2 -94.02 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 48' ' ' LEU . 4.0 t-20 -156.87 -139.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 1.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.12 -7.05 1.86 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 46' ' ' ASN . 5.1 mt -90.61 -1.67 57.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.346 . . . . 1.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 70.3 t -99.56 -2.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.6 3.31 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.654 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.5 t90 -101.8 -79.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.456 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -67.88 -34.57 76.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.508 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.513 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.2 t -69.92 -32.45 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.62 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 74.2 t80 -74.94 21.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.513 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.59 -10.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.624 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 58' ' ' GLY . 1.5 tptp -63.12 -35.68 81.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.557 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.523 ' HZ2' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.27 -6.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 99.34 49.69 1.53 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.6 m170 55.96 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 58' ' ' GLY . 46.8 m80 -103.27 -97.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.552 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.523 ' CE1' ' HZ2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -152.25 137.46 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.544 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -86.69 -170.74 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.625 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -171.75 48.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 1.0 110.598 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ttm . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.65 73.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -57.15 126.36 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.83 -45.63 0.04 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 148.95 116.13 0.82 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 6.2 t0 -70.46 13.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.522 ' H ' ' C ' ' A' ' 5' ' ' GLY . 13.5 m-85 -144.72 4.29 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 2.9 p30 -50.6 128.06 19.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.607 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -89.19 13.54 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 62.68 -71.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 3.0 t80 69.61 143.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.2 37.86 2.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.59 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.559 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -21.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -50.95 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -97.67 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 96.78 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 42.98 42.03 2.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.506 ' SG ' ' CD1' ' A' ' 21' ' ' TYR . 22.0 p -83.69 62.61 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.582 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.7 mt-10 42.45 52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.7 p90 -143.64 25.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -144.5 -37.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 32.5 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.33 -33.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.622 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 60.29 -73.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -173.97 -74.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.0 -12.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.507 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -148.96 13.49 1.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.58 56.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 ' CB ' ' HG ' ' A' ' 26' ' ' SER . 41.0 tp -173.27 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.45 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -70.87 -39.55 8.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.24 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.42 -2.43 1.38 Allowed 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.256 1.971 . . . . 1.0 112.017 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.443 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -102.83 -59.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.539 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -57.06 -55.2 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.23 72.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.0 ttp -74.03 -33.87 63.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -40.0 94.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' GLY . 58.4 t -52.48 -34.64 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -71.88 -25.75 62.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -103.28 0.02 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.593 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.67 8.61 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -87.45 -48.69 4.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -140.68 -33.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 1.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 ' O ' ' CG2' ' A' ' 44' ' ' THR . 8.5 m -63.17 -12.79 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.557 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.25 -40.61 2.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 46' ' ' ASN . 0.2 OUTLIER -102.87 44.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 1.0 110.614 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.25 22.05 2.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.71 -9.46 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -91.73 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.2 8.7 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.582 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 52' ' ' THR . 23.6 t90 -96.7 -86.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.576 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 3.0 t -53.36 -37.32 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.11 -32.27 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.91 -46.76 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.71 23.32 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -47.95 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -24.44 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.612 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . 140.74 -67.76 0.48 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER 175.01 101.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 1.0 110.524 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 59' ' ' HIS . 95.3 m-70 42.41 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -166.76 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -49.24 165.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -165.01 47.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 m80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.563 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 51.15 43.63 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.616 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.513 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.17 38.43 4.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.39 85.3 1.23 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -44.69 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.2 p90 -140.63 45.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.23 112.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.561 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.514 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -93.62 21.13 6.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.84 -40.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.598 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.514 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.7 t80 75.12 -161.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -41.17 -30.6 0.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 -84.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 1.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m-20 -58.14 -49.38 77.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.21 -37.39 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -100.55 41.59 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -143.67 -164.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.591 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.48 87.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.518 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -145.37 100.77 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 6.6 mt-10 62.87 -0.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.669 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 1.3 m-85 -108.05 26.03 10.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.567 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -174.09 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.587 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -72.7 53.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 34.8 p-90 -172.32 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' HG ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -41.32 99.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.45 ' HG ' ' C ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 74.48 101.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.567 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -66.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -75.22 -29.72 59.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.27 44.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 1.0 110.666 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 18.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.697 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.605 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -71.75 -38.74 6.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.195 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -86.86 14.85 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.499 2.133 . . . . 1.0 112.071 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -115.84 -31.4 5.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -106.45 -37.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -75.95 -29.61 58.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.514 ' C ' ' H ' ' A' ' 38' ' ' VAL . 15.5 mmm -85.09 -46.95 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.3 mt -75.32 28.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 36' ' ' MET . 41.4 t -143.09 -9.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.54 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -90.36 -35.25 15.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.14 5.45 42.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.598 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.65 15.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 -0.21 3.85 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 -63.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 1.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -47.2 -22.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.51 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.43 -64.43 2.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.535 ' C ' HD21 ' A' ' 46' ' ' ASN . 0.1 OUTLIER -107.26 -128.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 1.0 110.675 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.511 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 40.74 39.59 1.9 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.91 -10.25 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 1.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.68 11.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.559 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.92 4.5 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.549 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -97.97 -68.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.591 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -47.51 -46.36 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -43.44 -26.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -82.32 -38.46 24.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 1.5 mpt_? -71.55 -35.43 70.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -60.46 -40.17 90.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -40.95 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.624 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.7 7.06 26.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 1.7 m170 64.47 37.78 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 1.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -79.73 52.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -67.41 142.98 56.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.4 p80 -98.32 136.56 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 19.3 m80 -164.75 64.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.53 42.77 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.524 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -56.41 144.79 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.569 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.37 36.57 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -97.49 115.11 5.17 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 41.82 22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 1.0 110.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 46.84 46.95 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.572 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -51.06 161.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -81.73 2.75 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.562 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 65.01 -69.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.55 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.503 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 -53.84 1.56 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 44.21 35.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 1.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 45.38 17.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.7 t30 -70.65 -39.3 73.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.75 41.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.7 139.2 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 40.34 35.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.74 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 5.7 t -102.34 91.09 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 8.6 mt-10 58.07 21.81 8.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 50.7 m-85 -101.1 13.21 35.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.88 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.524 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.41 40.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.2 p-90 -160.31 -41.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.5 mmtt 41.85 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' TRP . 12.7 p -172.6 126.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.0 p -102.3 53.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.609 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 137.66 -26.02 2.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 78.8 41.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 1.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.06 13.02 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.6 mp -79.72 -34.5 0.88 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.509 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.0 Cg_exo -59.5 -32.5 96.39 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.046 1.83 . . . . 1.0 111.977 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.71 -61.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.3 mt -53.42 -32.69 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 31.4 t80 -77.78 -16.22 58.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.512 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -88.07 -43.01 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.552 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -74.84 20.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.512 ' H ' ' C ' ' A' ' 36' ' ' MET . 77.9 t -142.42 -15.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 9.3 t80 -78.27 -14.36 59.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.96 -9.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.526 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -138.2 62.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.86 -25.77 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.14 -47.23 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.0 110.307 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -45.88 -31.62 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.15 -83.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.06 16.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.65 38.91 3.16 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -100.75 -5.63 26.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 74.1 t -100.14 -3.23 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 8.07 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.491 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.7 t90 -92.57 -78.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.573 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.11 -32.69 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.32 -30.28 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.63 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.61 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -71.84 -9.23 58.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.623 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -99.58 -56.84 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -41.77 -35.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.52 -77.37 1.74 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -168.98 120.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.365 . . . . 1.0 110.581 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -160.51 -45.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 157.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 2.8 p-80 -141.81 -175.58 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.597 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 10.7 t-80 -167.9 65.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.577 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.78 69.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.95 158.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.6 39.1 6.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -95.04 73.47 0.96 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.44 20.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 1.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' GLY . 4.1 m-85 -155.95 123.45 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.35 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -99.45 -0.79 40.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 67.58 -66.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t80 79.17 102.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 71.48 -59.11 1.21 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.57 -84.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 1.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -53.18 -38.95 63.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -42.56 -37.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.39 41.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.58 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ASP . 43.8 t -138.74 169.9 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.11 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.53 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.487 ' SG ' ' OD1' ' A' ' 23' ' ' ASP . 2.0 t -99.43 30.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.4 mt-10 -144.57 -36.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -89.59 5.46 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.1 p -142.32 -35.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.487 ' OD1' ' SG ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -39.9 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 12.3 p-90 -106.55 -68.85 0.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.037 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.52 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.692 0.282 . . . . 1.0 110.847 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -101.59 91.82 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 m -73.0 37.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.597 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 127.76 5.63 5.3 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.59 34.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.32 16.76 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.37 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.593 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -89.81 -39.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.279 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.0 Cg_exo -58.67 -16.95 33.03 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.215 1.943 . . . . 1.0 112.043 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.55 -69.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 97.0 mt -43.26 -45.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.87 -38.91 87.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 ttm -64.21 -52.67 57.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.61 -57.56 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' GLY . 77.4 t -44.51 -26.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.59 -45.93 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.88 -4.47 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.63 16.23 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -138.65 8.48 3.38 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.9 m -155.97 -53.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 1.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -28.05 68.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.52 -61.97 3.04 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.14 14.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -84.07 11.74 56.48 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.08 2.59 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 1.0 110.591 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.453 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 80.3 t -93.13 -0.77 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.531 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.94 -34.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 17.9 t90 -49.46 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.66 -43.36 2.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.602 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -51.15 -37.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.23 -42.95 92.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -101.2 22.81 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -90.36 -46.56 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.381 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -6.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 151.63 -78.15 0.21 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -171.17 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 1.0 110.613 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.8 OUTLIER 172.57 111.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.634 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 53.55 178.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -64.78 -179.96 0.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 48.5 p-80 -158.44 42.37 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.564 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.95 56.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.81 144.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.5 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.65 -53.85 0.53 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.12 117.29 2.2 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.41 -38.7 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -151.52 17.45 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -56.25 133.76 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.619 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -85.67 21.38 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.526 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.9 m-85 62.77 -71.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 69.4 t80 49.66 -87.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.6 48.6 1.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -80.34 -69.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 1.0 110.607 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.67 -17.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ALA . 21.0 t-20 -61.12 -37.01 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.23 41.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' CYS . 43.6 t -144.47 127.68 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -43.24 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.514 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.4 t -94.71 -54.16 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.69 27.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 22.0 p90 -137.64 50.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 24' ' ' TRP . 6.7 t -173.57 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.508 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -5.27 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.5 p-90 -140.22 -70.84 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 48.93 100.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.57 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.2 p -151.63 80.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -77.95 46.02 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.59 -5.58 3.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 69.42 50.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 1.0 110.523 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 20.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.526 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.8 mm -80.77 -35.77 0.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.468 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.2 Cg_exo -59.75 -17.98 45.98 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.13 1.887 . . . . 1.0 111.99 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.21 -58.27 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.528 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 96.9 mt -51.45 -30.41 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.635 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -79.9 -30.89 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.27 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.73 -17.21 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -92.96 -7.16 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.528 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.13 -32.14 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -5.64 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.18 75.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.96 -14.97 0.59 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.473 ' C ' ' H ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -131.72 -37.62 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.769 0.319 . . . . 1.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -48.5 -13.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.498 ' C ' HD21 ' A' ' 46' ' ' ASN . . . -66.66 -81.14 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 HD21 ' C ' ' A' ' 45' ' ' GLY . 2.3 m-80 -138.27 57.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.713 0.292 . . . . 1.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.56 -23.87 4.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.8 pp -103.46 -18.46 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.692 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.8 m -54.02 -7.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.496 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.2 mt -89.85 2.86 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -111.46 -36.46 5.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.52 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -78.06 -48.55 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.455 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.3 t -41.78 -33.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.77 -41.66 97.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.6 mtt-85 -78.94 -43.5 24.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -74.46 1.36 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.616 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -48.23 -50.69 28.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.07 -62.57 0.75 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -175.05 74.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 1.0 110.565 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -160.12 129.03 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.608 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.4 m80 43.97 86.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -77.41 10.96 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' ND1' ' C ' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -169.1 66.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.52 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.533 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.04 62.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.86 135.65 56.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.31 51.06 3.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.503 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -160.78 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 16.6 t70 -63.93 3.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 1.0 110.685 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -172.12 87.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.675 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.0 122.48 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.615 ' ND2' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.2 -41.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.615 ' CE2' ' ND2' ' A' ' 9' ' ' ASN . 85.2 m-85 -156.44 -80.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.0 t80 62.0 -72.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.513 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -83.12 -49.24 5.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . 43.11 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 1.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -58.02 -7.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.521 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' H ' ' C ' ' A' ' 13' ' ' ALA . 1.3 m-80 -71.4 -64.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -97.88 47.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 18' ' ' GLU . 5.8 t -139.58 45.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 17' ' ' SER . 2.0 mt-10 40.3 94.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.757 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -101.51 38.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.5 42.92 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.523 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 12.6 p90 -137.82 33.92 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.91 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -32.83 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -83.19 -0.14 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.92 108.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.16 83.35 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -69.03 -31.7 70.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -139.49 6.31 2.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 74.95 37.13 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.0 4.3 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.55 -41.01 4.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.6 Cg_exo -57.77 -6.44 2.49 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.218 1.946 . . . . 1.0 112.044 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -99.59 -60.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.58 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.62 -33.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.05 77.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.6 tmm? -70.92 -36.08 72.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 11.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 95.2 t -137.99 7.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -95.26 -54.17 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -68.29 -2.79 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.558 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mt -126.05 -19.63 4.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.638 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.26 33.73 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.44 -40.56 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 1.0 110.546 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -74.36 -5.08 40.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.5 -17.38 24.21 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -137.85 -44.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 1.0 110.628 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.618 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.59 71.68 0.11 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' ASN . 3.8 mt -147.76 -17.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 1.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -94.59 -3.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.565 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 pp -136.53 2.34 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 52' ' ' THR . 9.0 t90 -92.6 -74.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 2.8 t -52.78 -37.41 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.481 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -48.31 -37.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.517 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -72.93 -19.58 61.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.8 mpt_? -92.52 -34.62 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -63.26 -40.74 98.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HZ1' ' H ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.1 -29.74 5.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 90.77 52.49 2.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 58' ' ' GLY . 20.3 m170 43.73 95.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 1.0 110.611 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.464 ' H ' ' HZ1' ' A' ' 57' ' ' LYS . 1.4 t60 68.82 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.539 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -90.88 149.25 22.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 48.3 p-80 -157.49 82.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.58 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -153.84 41.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m80 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.074 -0.965 . . . . 1.0 110.572 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 47.04 52.38 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.525 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.17 128.99 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.13 38.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.46 108.62 1.57 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.36 36.78 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 1.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -144.57 -3.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 141.78 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.607 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -139.65 6.93 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.557 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.97 -40.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.3 t80 76.82 125.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.28 42.54 82.83 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.05 -29.78 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 1.0 110.576 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -50.74 -25.45 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.91 -38.68 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.58 41.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' CYS . 97.8 p -102.94 -167.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 86.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' SER . 13.5 t -137.58 -54.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 77.0 mt-10 -137.81 4.17 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -101.47 -0.11 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 p -143.68 -36.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.74 -31.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 21.6 p-90 -101.46 -57.53 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.595 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.8 94.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.1 p -145.18 113.04 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.4 m -92.96 15.71 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -168.35 -34.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.36 44.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.46 18.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.689 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.617 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.41 -38.96 9.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.078 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.91 -9.03 8.84 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.197 1.932 . . . . 1.0 111.794 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.35 -58.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.7 mt -53.95 -28.57 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' VAL . 43.3 t80 -81.64 -70.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.656 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 7.6 ptm -43.0 -25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.64 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 35' ' ' TYR . 5.2 mt -68.54 -43.41 76.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.2 t -59.47 -31.06 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.2 t80 -67.13 -21.64 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 mt -108.25 -26.54 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -102.09 -3.57 27.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.461 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -67.17 -53.11 27.76 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -138.07 -36.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 1.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 46' ' ' ASN . 4.1 m -59.87 -31.72 70.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.63 24.46 3.19 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -157.77 119.56 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 1.0 110.494 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.55 34.91 5.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.38 -34.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 1.0 110.594 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.08 -2.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.64 -0.14 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.662 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.9 t90 -101.96 -83.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.4 t -59.75 -13.57 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.62 -48.34 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -39.44 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.56 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -80.01 -33.79 38.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -60.59 -52.48 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.553 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' HIS . 22.7 tttt -54.7 -28.27 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.514 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.4 -74.04 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -151.59 -163.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 1.0 110.529 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -42.1 117.83 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -42.07 -52.14 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 59.78 -160.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -169.13 42.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.57 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.523 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 46.84 48.13 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.588 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.8 148.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.21 -43.43 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . 168.38 154.45 8.85 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -57.77 80.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' GLY . 95.2 m-85 -156.73 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t0 43.39 20.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 4.5 t-20 -140.06 28.6 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.88 -71.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.09 -65.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.581 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.11 35.57 1.08 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -93.79 -100.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 1.0 110.59 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.48 -18.33 6.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -54.91 -41.44 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -99.82 41.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -138.77 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.14 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' SER . 45.1 t -86.89 -45.26 11.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 11.5 mt-10 -138.91 52.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.431 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 48.6 m-85 -138.39 7.58 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.9 t -172.19 -34.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 15.4 p-10 -88.82 59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 18.6 p-90 -171.1 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 47.56 14.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.581 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 78.43 106.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.512 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.8 p -71.38 0.6 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.644 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.59 52.86 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.6 25.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.744 0.307 . . . . 1.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -110.03 -25.62 10.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.68 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -66.7 -40.45 31.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_exo -57.82 -29.85 87.41 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.216 1.944 . . . . 1.0 112.0 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -66.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -53.5 -32.07 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.97 -21.64 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' C ' ' H ' ' A' ' 38' ' ' VAL . 35.5 ttp -81.92 -39.72 23.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.57 13.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.506 ' H ' ' C ' ' A' ' 36' ' ' MET . 22.7 t -137.5 -19.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.631 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -72.26 -39.88 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.325 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 -12.78 15.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.36 67.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.91 -19.12 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.4 m -123.22 -40.77 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 t -47.62 -15.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -41.2 -93.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' LEU . 23.5 m120 -138.45 -104.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 1.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.87 23.11 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' ASN . 9.3 mt -133.16 -17.34 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 1.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 75.2 t -79.48 9.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 11.69 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.631 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.76 -58.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.623 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.7 t -76.72 -32.29 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.396 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.49 -29.11 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.97 31.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -139.95 -19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 23.24 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.54 21.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.491 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.05 -34.04 1.95 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -93.86 42.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 1.0 110.647 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.63 23.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -165.49 35.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.586 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -151.61 115.28 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 7.0 p80 -169.2 58.75 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 20.7 m80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.91 -1.043 . . . . 1.0 110.634 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.544 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -95.8 92.69 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.496 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -57.04 152.4 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.69 58.09 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -84.93 -81.2 1.08 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.74 2.46 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 1.0 110.611 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -102.26 -27.68 12.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.617 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.3 135.38 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.526 ' C ' ' H ' ' A' ' 11' ' ' TYR . 8.2 p-10 -95.68 19.43 11.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 3.0 m-85 70.8 -40.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.526 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.5 t80 69.24 -150.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' C ' ' H ' ' A' ' 14' ' ' ASP . . . -41.29 -50.29 4.54 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 71.7 -42.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 1.0 110.617 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.2 m-20 -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.89 -37.12 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.552 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.43 43.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' CYS . 16.1 m -138.69 -169.77 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.557 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.8 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.8 p -85.13 87.08 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 68.47 24.05 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.669 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.89 -1.7 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.8 t -172.84 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -74.82 63.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.528 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 16.0 p-90 -161.92 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 24' ' ' TRP . 5.8 ptpt -39.84 132.92 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -71.88 -73.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.486 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.98 -15.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -142.87 7.72 2.18 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.36 -62.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.545 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.98 -0.27 36.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -73.35 -40.59 5.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.4 Cg_exo -57.65 -14.97 18.84 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.234 1.956 . . . . 1.0 112.025 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.75 -65.85 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.46 -42.36 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.98 -46.81 68.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.62 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttm -59.54 -26.47 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -85.51 -29.1 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 94.4 t -91.68 7.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.502 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -96.61 -36.79 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.552 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.34 -4.61 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.44 5.47 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.18 -43.83 5.51 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.8 t -139.39 -40.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 1.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ASN . 3.4 m -55.64 -34.8 65.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.39 -23.97 0.33 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.4 OUTLIER -138.85 6.09 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.711 0.291 . . . . 1.0 110.499 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.53 7.16 81.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 50' ' ' LEU . 5.6 mt -100.42 -24.98 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 m -70.85 11.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.514 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.509 ' H ' ' C ' ' A' ' 48' ' ' LEU . 32.3 mt -115.79 -46.05 2.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 3.9 t90 -84.96 -29.4 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 55' ' ' ARG . 12.0 m -81.09 -51.21 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.75 -26.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -94.96 29.04 2.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.8 mtt85 -141.67 -20.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -22.91 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.53 -34.76 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.45 -40.75 2.32 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -165.8 -136.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 1.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.593 ' N ' ' CG ' ' A' ' 59' ' ' HIS . 30.6 m170 -82.4 -107.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -140.56 -63.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 20.3 t60 -75.24 -88.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.534 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 36.0 t-80 -174.57 70.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.981 -1.009 . . . . 1.0 110.536 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -149.21 42.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.552 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.91 106.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.86 15.1 59.85 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -59.12 -83.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -70.97 40.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 1.0 110.699 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER 57.36 28.7 15.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t0 42.05 90.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.583 ' ND2' ' CD2' ' A' ' 10' ' ' TYR . 2.7 p-10 -65.88 -55.6 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 75.9 m-85 -55.57 -56.07 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 44.62 -96.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -61.87 -63.67 4.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . 72.37 -45.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 1.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.0 m-20 -58.06 -4.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.489 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -80.01 1.16 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -139.09 42.04 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -100.59 101.17 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 43.46 41.79 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.42 50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 53.47 60.81 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.612 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -150.72 23.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.526 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -167.08 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -11.48 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.586 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.4 p-90 -149.68 -68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 19.1 mmtt 41.92 71.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.0 p -169.39 125.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.415 ' O ' ' OG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -75.02 16.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.503 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 134.13 0.51 3.8 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 81.17 52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 1.0 110.725 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -138.68 30.72 2.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.553 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -78.57 -39.17 1.58 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.851 179.683 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.7 Cg_endo -86.27 24.33 0.76 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.503 2.135 . . . . 1.0 111.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.25 -33.38 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.468 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 93.0 mt -105.58 -48.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 39.3 t80 -74.26 -6.21 46.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.452 ' C ' ' H ' ' A' ' 38' ' ' VAL . 41.5 ttm -102.22 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.69 -8.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.563 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 34' ' ' ILE . 93.2 t -102.28 -14.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.65 -33.58 75.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.538 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.76 -4.71 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -136.81 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.6 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.29 -31.19 0.04 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.97 -46.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 1.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -41.71 -34.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.551 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.32 -78.25 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -154.58 17.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.21 36.8 3.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -101.41 4.38 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 1.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.18 -29.34 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.66 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.17 11.9 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.648 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.673 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 3.0 t90 -97.38 -80.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.7 t -51.57 -31.14 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.313 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.78 -23.05 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CE1' ' NZ ' ' A' ' 57' ' ' LYS . 6.5 t80 -64.99 -27.48 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -65.64 -34.21 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.52 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -98.49 29.21 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.619 ' NZ ' ' CE1' ' A' ' 54' ' ' PHE . 8.0 tttp -47.33 -52.1 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.8 -59.65 0.56 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.579 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -147.67 -86.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 1.0 110.574 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.453 ' H ' ' CD2' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -176.65 -173.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.643 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -73.19 -61.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.585 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.56 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -160.26 45.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.516 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -150.06 44.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.38 119.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 42.08 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.34 -30.63 10.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 41.75 31.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 8' ' ' ASP . 82.5 t80 -167.3 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 9.5 t70 41.86 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.6 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p30 -69.56 9.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' H ' ' C ' ' A' ' 8' ' ' ASP . 0.8 OUTLIER 68.91 -65.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.538 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 58.93 149.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 41.11 30.45 0.42 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.9 -19.96 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 1.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -55.58 -22.75 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -48.15 -44.15 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.35 43.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.79 132.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.81 100.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 44.2 t -98.44 -5.27 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' THR . 13.2 mt-10 -145.5 -53.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.582 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -65.65 68.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.2 t -173.51 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -10.37 59.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.629 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.3 p-90 -141.5 -52.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.61 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 39.13 49.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p 79.78 123.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -86.27 52.84 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.78 -17.52 2.4 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.41 41.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 1.0 110.514 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.36 -1.89 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.87 -38.81 5.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.171 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 56.0 Cg_endo -86.67 8.46 4.42 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.467 2.111 . . . . 1.0 111.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -110.4 -26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 51.4 mt -111.65 -35.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.584 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -81.72 -22.11 37.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 tpp -88.72 -56.58 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.648 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.435 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 43.8 mt -57.56 -17.13 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.586 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 34' ' ' ILE . 95.3 t -100.8 1.77 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -100.92 -18.34 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -102.44 -7.75 21.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.01 10.07 3.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.59 -41.0 4.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 44' ' ' THR . 15.2 t -138.51 -43.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 1.0 110.572 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.45 ' N ' ' CG2' ' A' ' 43' ' ' THR . 4.6 m -54.08 -17.22 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.525 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.49 93.55 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -159.07 114.96 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.26 -20.55 2.45 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -89.79 -32.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 1.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 11.8 p -75.42 24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.479 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 48' ' ' LEU . 2.0 mt -134.42 -44.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.488 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.516 ' CZ3' ' OG1' ' A' ' 52' ' ' THR . 3.0 t90 -86.8 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.34 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.516 ' OG1' ' CZ3' ' A' ' 51' ' ' TRP . 4.5 m -45.72 -17.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.502 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' N ' ' C ' ' A' ' 51' ' ' TRP . 5.6 t -82.48 -33.96 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 51' ' ' TRP . 7.2 t80 -45.97 -43.41 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' CD ' ' H ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.53 -38.23 22.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.517 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.02 2.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.525 ' H ' ' C ' ' A' ' 55' ' ' ARG . 38.6 tttm -41.65 -29.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 58.88 -102.24 0.27 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 42.23 -91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 1.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.3 t-80 -165.55 -27.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.6 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.602 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.9 t-80 59.34 -133.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.602 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 21.3 p-80 -65.55 156.6 32.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 2.1 p-80 -161.0 53.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.563 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.76 68.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.617 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.31 154.8 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.96 -47.08 0.19 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 84.99 -77.24 2.13 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.44 ' C ' ' H ' ' A' ' 8' ' ' ASP . 13.2 t0 -70.88 40.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 1.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.525 ' H ' ' C ' ' A' ' 5' ' ' GLY . 25.5 m-85 47.63 16.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.572 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.3 t70 -45.87 124.77 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 19.2 t30 -149.53 22.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 68.03 -66.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.566 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 64.59 141.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.49 40.32 2.74 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.57 -22.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.09 -22.93 43.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -34.75 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.09 41.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' CYS . 7.5 t -102.22 -172.1 2.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -58.75 78.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.515 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 79.2 m -147.68 71.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 66.55 31.0 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 60.5 m-85 -131.0 45.51 2.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.505 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -171.39 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.595 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.21 14.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' H ' ' C ' ' A' ' 22' ' ' THR . 12.0 p-90 -138.36 6.04 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.6 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 125.03 11.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -64.31 -62.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.501 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 77.42 -3.88 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.659 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.53 35.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -115.84 -57.52 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.782 0.325 . . . . 1.0 110.533 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.97 -6.04 21.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.652 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.08 -38.73 11.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.14 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -87.05 8.29 4.44 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.44 2.093 . . . . 1.0 111.766 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.45 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -112.67 -12.07 13.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.32 -63.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -59.91 -12.19 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.587 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.513 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.7 ttp -99.9 -45.67 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.561 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.45 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 19.5 mt -71.77 13.41 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.513 ' H ' ' C ' ' A' ' 36' ' ' MET . 93.8 t -131.69 -13.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.59 -29.37 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -5.67 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.298 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.55 73.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -19.06 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 44' ' ' THR . 8.7 t -136.25 -46.98 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.8 m -46.8 -32.32 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.02 27.31 0.72 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -141.51 75.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 1.0 110.625 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.43 -40.07 0.18 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 mm? -69.84 -174.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.587 0.232 . . . . 1.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 9.2 p 38.92 22.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.769 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mt -138.96 -35.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -101.02 -45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.406 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -67.48 -12.37 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.8 t -76.91 -37.78 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.722 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -74.16 19.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.525 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.6 mtp85 -130.51 -20.1 2.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -33.5 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 tttt 70.83 -58.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.17 -13.21 3.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.562 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -168.68 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.572 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.561 ' H ' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -177.24 -68.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.562 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.85 -5.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 54.8 71.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 84.7 t60 -172.44 42.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.028 -0.987 . . . . 1.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 50.28 41.39 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.967 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -169.08 127.97 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.211 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.2 36.22 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -160.96 -128.97 0.99 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 43.99 21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' GLY . 39.9 m-85 41.93 61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' OD1' ' CD1' ' A' ' 11' ' ' TYR . 23.5 t70 -59.21 134.31 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.637 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.631 HD22 ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -154.68 -36.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.592 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' ALA . 37.8 m-85 -42.22 -26.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CD1' ' OD1' ' A' ' 8' ' ' ASP . 3.3 m-85 -37.57 -71.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -51.44 -25.17 12.47 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 41.12 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 1.0 110.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -51.76 -25.04 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -44.86 -34.34 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.631 ' NE2' HD22 ' A' ' 9' ' ' ASN . 3.5 mt-30 -101.68 41.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -139.01 -168.96 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -42.31 101.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 20' ' ' GLU . 8.3 t -152.68 -63.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 63.6 mm-40 -137.86 11.18 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 64.6 m-85 -98.34 14.46 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.62 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.431 ' C ' ' H ' ' A' ' 24' ' ' TRP . 10.2 t -171.81 -37.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.509 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.44 45.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.649 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.2 p-90 -157.17 -59.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.2 mttt 42.07 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.622 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . 68.9 m -94.66 -75.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER 71.29 -12.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -146.57 12.34 1.54 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.81 1.35 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.709 0.29 . . . . 1.0 110.641 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mp -125.0 -19.51 5.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.526 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.594 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -90.41 -39.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.196 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 59.6 Cg_endo -86.63 17.46 1.75 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.406 2.07 . . . . 1.0 112.155 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.19 3.1 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.514 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.8 -45.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -26.38 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.516 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.4 ttp -81.47 -36.29 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LEU . 14.1 mt -75.4 31.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.596 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.516 ' H ' ' C ' ' A' ' 36' ' ' MET . 92.1 t -139.3 -26.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.0 t80 -68.75 -22.17 64.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.424 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 -1.84 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' LEU . 32.0 tp -147.09 70.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.63 -24.58 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -139.86 -29.94 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.356 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 44' ' ' THR . 10.5 m -64.31 -9.6 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.12 -41.6 2.82 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 1.9 t30 -104.28 -9.61 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.74 0.305 . . . . 1.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.91 37.09 0.74 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 46' ' ' ASN . 4.1 mm? -98.83 -4.02 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 1.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -30.72 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.67 4.82 52.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 1.0 110.508 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.663 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 6.2 t90 -92.37 -70.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.407 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -56.15 -46.6 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.564 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.98 -41.28 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.566 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -51.46 -43.5 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.663 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 1.1 mpt_? -65.74 -29.94 70.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -76.35 -29.08 57.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -30.67 12.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.665 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 51.62 37.01 40.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.879 . . . . 1.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' GLY . 33.9 m170 54.59 167.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 1.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 t60 64.29 131.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -91.68 140.72 29.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -90.43 129.31 36.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.624 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 1.9 t60 -163.35 50.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.58 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.57 65.29 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -43.29 156.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.667 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.79 -6.1 54.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 160.98 113.43 0.31 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.88 40.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 1.0 110.73 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.513 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -160.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.553 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.36 104.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.573 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.41 23.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 67.8 -66.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.552 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.2 t80 67.22 131.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 48.4 5.09 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.81 -23.85 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.586 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -55.13 -32.42 62.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.622 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.56 -44.47 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -95.64 42.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' CYS . 8.8 t -140.38 -165.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -41.63 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.9 t -148.56 86.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 40.4 mm-40 60.19 8.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 67.4 m-85 -101.49 41.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.472 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 175.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.591 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -11.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 17.1 p-90 -150.52 -48.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.74 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER 41.21 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.598 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 8.0 m -166.33 119.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.625 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.446 ' H ' ' CD1' ' A' ' 31' ' ' ILE . 26.3 t -75.56 2.46 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 137.88 38.21 0.13 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 76.61 15.73 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 1.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.82 1.7 37.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.601 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.587 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.78 -40.19 3.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.3 Cg_exo -57.95 -34.79 98.79 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.19 1.927 . . . . 1.0 112.04 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.92 -64.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.78 -32.71 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 24.2 t80 -77.67 -26.17 50.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.4 ttm -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -75.19 24.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 36' ' ' MET . 52.1 t -143.5 21.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.388 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -108.73 -40.7 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.213 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.59 -2.49 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.326 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.05 -23.49 3.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.62 -25.98 70.64 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -61.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 1.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -48.53 -27.76 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.442 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.44 75.19 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 41.94 89.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 1.0 110.511 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.07 -31.04 2.59 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -59.75 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 1.0 110.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.52 -17.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.95 -4.63 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -92.37 -55.88 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.542 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.411 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -50.36 -47.51 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.596 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.63 -28.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -54.87 -36.65 65.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.573 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -94.31 -37.3 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -5.45 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.554 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -47.4 -49.39 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.498 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.54 12.25 55.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -100.91 -29.32 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 1.0 110.614 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 69.5 24.75 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 16.6 t-160 50.6 70.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.53 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 23.4 t-80 -172.54 63.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.533 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 1.8 t60 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.354 -0.609 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -92.83 81.64 4.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.94 147.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.624 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.94 36.41 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 7' ' ' PHE . . . 142.1 -122.97 2.1 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 t70 48.31 12.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 1.0 110.797 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 2.9 p90 177.29 17.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -154.06 35.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.481 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 6.4 m-85 64.91 -69.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.609 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.7 t80 76.09 101.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.43 -54.98 1.58 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 46.84 41.96 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 45.4 22.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.1 t30 -95.39 -28.21 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -137.66 42.45 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.4 t -142.61 -165.97 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -53.06 88.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' SER . 41.0 t -90.1 -58.25 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.88 3.31 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -86.12 56.19 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.9 p -147.41 -36.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -71.25 -65.52 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 11.8 p-90 -72.58 49.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.706 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 0.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.528 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' H ' ' C ' ' A' ' 24' ' ' TRP . 8.6 m -168.8 113.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -3.73 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 131.45 33.41 0.45 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.54 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 1.0 110.438 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.38 17.11 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -77.6 -33.81 1.08 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.777 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.4 Cg_exo -59.3 2.34 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.03 1.82 . . . . 1.0 112.16 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.98 -48.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.678 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.19 -71.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -48.64 -31.29 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.421 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -70.87 -68.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.71 47.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.0 t -145.96 -30.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 2.2 t80 -86.2 -33.74 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.86 8.55 11.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.49 9.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.9 -31.39 5.41 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 44' ' ' THR . 9.3 t -139.76 -46.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 1.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.3 m -56.68 -36.94 70.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.1 -40.57 7.34 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.21 104.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 1.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.94 42.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' C ' ' H ' ' A' ' 50' ' ' LEU . 46.8 mt -116.97 -27.01 6.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.852 0.358 . . . . 1.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 49' ' ' VAL . 9.4 p -77.48 13.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.523 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -142.31 6.3 1.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.705 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.85 -60.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.461 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.531 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.42 -45.62 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' N ' ' CG2' ' A' ' 52' ' ' THR . 24.0 t -47.09 -20.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.57 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' C ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -72.12 -66.45 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.708 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -48.04 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -131.27 43.19 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.478 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -47.17 -59.34 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.56 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 98.6 -72.46 0.57 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 58' ' ' GLY . 18.7 m170 -53.93 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 1.0 110.523 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -138.95 100.64 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 172.96 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.613 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.488 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 3.2 t-80 -93.04 60.59 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 3.3 t-80 -170.2 54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.597 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.9 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.944 -1.026 . . . . 1.0 110.56 -179.986 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.52 42.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -52.52 179.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 50.54 59.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -48.02 128.72 17.17 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -4.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.524 ' C ' ' H ' ' A' ' 9' ' ' ASN . 34.9 t80 -60.4 -38.95 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -74.61 25.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 7' ' ' PHE . 15.3 p-10 -60.19 -23.87 64.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -141.14 -59.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 t80 62.83 137.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.76 31.25 57.83 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -83.46 -40.96 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 1.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -57.74 -5.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 13' ' ' ALA . 2.8 m120 -55.94 -39.58 71.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.03 42.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -156.02 -166.14 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.88 88.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' SER . 42.0 t -101.09 -47.99 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -143.24 54.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.554 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -142.85 19.35 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -174.13 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -16.25 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 9.0 p-90 -99.95 26.27 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.11 146.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -101.15 90.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 99.2 p -54.72 -12.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.518 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.35 62.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.27 39.65 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 1.0 110.557 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.55 -24.25 3.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mp -67.29 -40.09 24.99 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.86 -38.14 93.67 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.248 1.966 . . . . 1.0 111.966 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -54.98 -38.42 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.522 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 3.9 t80 -70.73 -34.24 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.51 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.1 mmm -65.22 -54.03 35.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.16 -18.84 65.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.5 t -102.05 -10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 t80 -68.5 -33.62 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.487 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 -4.58 26.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.508 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.23 58.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.67 -30.64 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -128.38 -47.06 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.853 0.359 . . . . 1.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -41.73 -29.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.51 -74.1 0.37 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 t30 40.47 91.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 1.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 145.53 -25.41 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.598 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -108.58 0.25 20.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.799 0.333 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 m -101.57 29.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.473 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -161.77 -33.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -86.32 -76.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.805 -179.698 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.2 t -53.81 -11.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.688 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.43 ' H ' ' C ' ' A' ' 51' ' ' TRP . 69.1 t -90.8 -21.0 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -59.54 -25.0 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.698 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -19.18 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.628 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.0 mmtp -107.11 16.05 24.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.614 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -67.37 66.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -42.36 -58.46 3.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.08 123.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.444 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.6 t-80 70.11 -158.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.567 ' CD2' ' H ' ' A' ' 62' ' ' HIS . 2.5 t-160 -142.1 -152.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 73.5 t60 48.13 73.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.436 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 5.6 t-80 -171.45 65.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -88.44 66.25 8.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.85 148.81 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.526 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.9 41.86 0.1 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -63.42 164.81 29.02 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -5.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 1.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.493 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -54.83 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.602 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.61 132.25 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -99.78 -36.3 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.48 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -90.13 -79.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.594 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.75 150.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' OD1' ' A' ' 15' ' ' ASN . . . 41.22 32.94 0.72 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -69.28 -34.68 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.0 110.523 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.02 -10.25 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 12' ' ' GLY . 16.9 m120 -61.08 -33.98 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' OE1' ' OH ' ' A' ' 21' ' ' TYR . 2.4 mm100 -102.4 41.43 1.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.51 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' CYS . 36.3 m -101.82 -170.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.494 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.56 80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -148.11 -37.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.22 24.79 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.413 ' OH ' ' OE1' ' A' ' 16' ' ' GLN . 78.6 m-85 -140.45 28.63 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -164.96 -35.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.53 -76.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.7 p-90 -41.93 -49.17 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 39.13 -90.65 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.986 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -97.67 -70.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.53 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.72 -16.43 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.657 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.51 4.4 3.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -125.71 -24.09 3.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.637 0.256 . . . . 1.0 110.745 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.64 -26.36 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.316 179.895 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -75.28 -33.87 1.51 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.699 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.3 Cg_exo -60.07 3.45 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.019 1.813 . . . . 1.0 112.194 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.3 -70.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.721 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mt -41.26 -21.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' ALA . 82.7 t80 -83.74 -38.63 21.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 tpp -63.26 -44.9 93.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.38 -28.41 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.3 t -100.49 -6.6 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' TYR . 86.2 t80 -67.86 -34.26 76.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -5.56 24.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.14 68.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -27.16 0.08 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 t -137.93 -21.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 44' ' ' THR . 8.6 m -75.73 -11.46 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.94 -15.23 58.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.84 6.73 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 1.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -91.39 7.08 80.64 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 50' ' ' LEU . 70.6 mt -100.43 -36.6 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -53.41 -8.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.53 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.4 mt -102.85 -51.98 3.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.498 ' C ' ' H ' ' A' ' 53' ' ' VAL . 1.2 t90 -80.71 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 52' ' ' THR . 20.6 m -51.21 -10.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.493 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.498 ' H ' ' C ' ' A' ' 51' ' ' TRP . 5.3 t -100.18 -29.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.9 -11.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.42 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -102.05 -18.93 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.495 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -92.01 -2.05 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -47.9 -38.47 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.728 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 57' ' ' LYS . . . 39.41 95.15 0.01 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -158.7 -48.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 1.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -94.97 -56.71 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.617 179.901 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER 60.31 140.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.561 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -93.14 -156.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.582 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 71.0 m80 -156.68 54.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.546 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.38 98.28 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.43 119.02 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.48 -41.28 2.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 171.11 154.43 9.71 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -4.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 1.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.512 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.1 m-85 -55.84 -73.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -42.46 126.52 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -153.43 -38.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -89.78 -65.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.531 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 72.8 t80 51.27 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -63.41 -55.78 23.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 50.74 -173.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 1.0 110.508 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -50.67 -31.05 15.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -53.95 -35.68 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.87 53.55 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' GLU . 16.8 t -155.72 115.24 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 10.0 pt-20 33.1 48.9 0.16 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.447 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 1.7 t -72.56 -77.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 66.8 mt-10 -142.93 21.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.587 ' CA ' ' HE1' ' A' ' 24' ' ' TRP . 80.8 m-85 -107.62 -16.58 14.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.0 p -133.72 -32.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.714 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.6 -20.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.783 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.587 ' HE1' ' CA ' ' A' ' 21' ' ' TYR . 1.3 p-90 -103.76 -96.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 31.3 mttm 55.73 18.86 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.628 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.3 m 163.04 136.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.601 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.8 p -79.17 55.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.612 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.25 -17.25 2.51 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.131 -0.787 . . . . 1.0 111.131 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 71.5 23.93 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 1.0 110.667 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -107.1 -10.72 15.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.672 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -75.35 -38.9 2.92 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.182 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.7 -12.57 22.08 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 111.762 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -52.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.503 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 5.2 mt -63.07 -52.08 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -52.88 -28.29 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.458 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.58 -64.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.586 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -72.25 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' H ' ' C ' ' A' ' 36' ' ' MET . 18.3 t -137.33 -21.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -38.67 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.504 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.55 2.74 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.72 -34.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.01 -43.08 16.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' A' ' 44' ' ' THR . 8.3 t -148.68 -47.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 1.0 110.606 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 44' ' ' THR . 7.2 m -57.03 -10.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -59.59 -27.6 63.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 16.6 m-80 -156.9 -64.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.594 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 126.35 9.12 4.66 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? 45.03 16.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 1.0 110.571 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' GLY . 1.8 p -112.63 -27.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.17 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -105.09 -0.77 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 14.4 t90 -80.92 -85.95 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.519 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.43 -47.6 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -47.1 -53.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -33.11 54.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.522 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.583 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 14.7 mtt-85 -82.73 -32.25 28.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.558 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -73.57 12.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' H ' ' C ' ' A' ' 55' ' ' ARG . 9.3 ttmt -55.03 -45.74 75.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.586 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.2 -58.44 4.61 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -86.14 60.11 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 1.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -43.45 128.23 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.36 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.94 16.78 3.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 42.5 t-80 -171.68 65.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.943 -1.027 . . . . 1.0 110.625 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.431 -0.581 . . . . 1.0 109.431 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.06 120.33 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.461 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -160.39 155.97 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.58 -23.35 64.87 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 139.16 111.82 1.0 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 2.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.322 . . . . 1.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 t80 -102.56 -21.53 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.551 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.43 123.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.599 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -138.85 -37.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 80.5 m-85 -42.39 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 86.9 t80 52.45 -90.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -44.69 -54.08 6.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 43.13 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 1.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.42 -20.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -70.76 0.69 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -138.15 42.13 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -138.71 142.19 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 44.54 45.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.609 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -138.25 -43.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.63 8.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -97.4 70.29 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -173.4 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.63 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.04 9.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.592 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.5 p-90 -141.87 -44.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 11.1 mmtp 52.31 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.645 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' TRP . 57.7 p -101.54 -69.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 1.3 m 51.77 17.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.25 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.52 -42.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.691 0.281 . . . . 1.0 110.712 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -103.41 -17.6 15.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -62.71 -40.27 62.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.781 -0.367 . . . . 1.0 111.026 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 3.9 Cg_exo -70.86 29.28 0.21 Allowed 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.297 1.998 . . . . 1.0 111.892 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -141.7 -45.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.788 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.93 -19.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -90.1 -30.29 17.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.412 179.728 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.492 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 1.1 ppp? -86.4 -23.87 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.481 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.93 -24.93 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 44.1 t -78.82 -8.83 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.31 -41.95 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 0.17 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.611 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.61 31.17 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.51 2.77 3.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.533 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.8 m -166.39 -50.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 1.0 110.357 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.448 ' O ' ' CG2' ' A' ' 44' ' ' THR . 20.5 m -56.89 -4.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.363 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -38.8 -75.66 0.09 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.92 130.47 0.4 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.802 0.334 . . . . 1.0 110.727 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 -39.13 3.0 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.838 0.351 . . . . 1.0 110.423 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.36 8.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.583 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -127.39 -0.01 6.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -97.44 -72.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.494 ' C ' ' H ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -50.66 -46.97 58.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.556 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.21 -6.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.507 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' H ' ' C ' ' A' ' 52' ' ' THR . 11.8 t80 -100.36 7.69 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -166.64 81.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.564 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -164.53 -35.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.538 -179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -8.48 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 60' ' ' HIS . . . 48.35 52.49 18.53 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' CG ' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 47.53 14.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.341 . . . . 1.0 110.646 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -101.22 103.44 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.82 16.75 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.577 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 1.4 t-80 -154.94 -136.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.577 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 66.1 t60 -165.47 61.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -96.86 65.85 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -55.56 149.19 14.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.43 51.35 1.58 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -147.59 82.6 0.19 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.565 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER 44.31 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.535 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.28 -7.94 0.12 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.064 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.565 ' H ' ' C ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -50.42 139.23 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 1.0 110.621 179.795 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 11' ' ' TYR . 3.2 t30 -143.22 9.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 m-85 70.83 -40.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.513 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 61.94 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.528 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -68.37 -63.17 3.7 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.34 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.632 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -51.1 -20.13 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.0 -39.09 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -99.19 41.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' GLU . 2.4 t -141.42 125.6 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.8 pt-20 33.11 48.08 0.14 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.377 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 51.53 69.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 3.1 p90 -141.0 7.55 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -156.48 -37.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.573 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 7.3 p-90 -93.04 8.77 38.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.534 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.08 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 93.44 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -52.12 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.53 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -99.82 -15.91 30.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.416 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 76.18 48.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.342 . . . . 1.0 110.713 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.5 19.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.774 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.8 mp -74.02 -34.36 2.02 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.491 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.8 Cg_endo -87.14 9.51 3.91 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 122.306 2.004 . . . . 1.0 112.02 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.85 -58.18 2.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 73.4 mt -74.49 -43.6 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -69.78 -18.45 63.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.507 ' C ' ' H ' ' A' ' 38' ' ' VAL . 36.7 ttm -92.88 -59.42 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.614 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.507 ' H ' ' C ' ' A' ' 36' ' ' MET . 5.1 t -138.52 -36.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.524 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -67.75 -19.15 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.03 16.83 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.494 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.67 50.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.626 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 -26.76 0.08 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -123.91 -47.35 1.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -42.6 -30.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.51 -88.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -159.14 97.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 1.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.47 66.74 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.8 mt -135.44 -29.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 1.0 110.513 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.46 17.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -147.14 11.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.607 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.42 -65.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.556 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.6 t -75.68 -34.42 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.24 -31.53 53.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -12.31 59.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 19.2 mtp180 -94.99 13.51 24.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' C ' ' H ' ' A' ' 58' ' ' GLY . 41.5 mmtt -99.08 -56.28 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -12.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.605 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 140.62 -80.81 0.26 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -171.11 61.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 1.0 110.596 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 8.9 t-160 54.9 26.68 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.628 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.9 t-80 -166.9 -142.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.628 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 81.4 t60 54.98 104.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -176.28 50.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.61 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.532 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 51.27 42.26 28.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.509 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -47.99 116.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.29 -46.54 3.26 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 97.29 -96.08 1.79 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.21 4.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 1.0 110.646 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.512 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -77.67 -75.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.524 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.71 111.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -101.81 10.74 39.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.604 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' TYR . 4.3 m-85 67.94 -66.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t80 56.06 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 40.82 26.62 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -63.47 -27.46 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.825 0.345 . . . . 1.0 110.594 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.15 -7.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t-20 -66.21 -39.29 89.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.508 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -100.15 41.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.519 ' C ' ' H ' ' A' ' 19' ' ' CYS . 5.7 t -92.42 -162.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.29 40.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.659 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.2 p -70.36 -59.43 2.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.524 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.0 mm-40 -127.98 -27.7 2.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.624 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -72.7 54.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.89 -48.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -62.98 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -59.59 -19.78 51.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -41.72 126.68 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.3 m -73.34 -73.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.18 -17.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.523 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -135.51 2.31 3.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.18 -6.4 4.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.655 0.264 . . . . 1.0 110.638 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -111.05 -11.57 14.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.411 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.4 OUTLIER -89.81 -38.93 0.42 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.407 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.9 Cg_endo -82.38 28.12 0.58 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.228 1.952 . . . . 1.0 111.895 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.98 -51.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.276 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.16 -58.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.39 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -49.89 -23.8 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.4 179.913 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.484 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 7.6 ttm -89.51 -44.94 9.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.488 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.22 -16.44 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.445 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.0 t -102.23 -7.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.583 179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 43' ' ' THR . 83.9 t80 -65.96 -28.71 69.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.4 -5.39 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.486 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -135.16 76.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.87 -14.18 0.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.437 ' CG2' ' O ' ' A' ' 39' ' ' PHE . 7.8 t -135.29 -48.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.571 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.6 m -54.76 -28.48 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.38 50.91 0.08 OUTLIER Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -63.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.0 36.89 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' N ' ' CD2' ' A' ' 48' ' ' LEU . 4.1 mm? -103.93 -13.09 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 1.0 110.573 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.1 m -97.53 16.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.896 -179.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.13 7.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.611 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 52' ' ' THR . 6.4 t90 -103.72 -80.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.522 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -65.29 -35.01 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.556 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.37 -21.28 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -78.99 -13.56 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 27.1 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -89.83 -48.89 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.326 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -57.07 -5.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.577 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.507 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 56.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -169.36 105.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 1.0 110.508 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -160.71 -67.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.491 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' HIS . 1.4 t-160 61.03 133.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.541 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -94.97 -172.01 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.586 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 62' ' ' HIS . 0.9 OUTLIER -149.09 42.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.568 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.594 -179.975 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -76.78 49.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -48.99 163.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.614 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.11 21.48 10.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.23 142.32 18.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -55.91 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 1.0 110.59 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 9' ' ' ASN . 10.2 m-85 62.66 -71.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' ASP . 2.5 m-20 -57.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -86.28 -1.02 57.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.1 m-85 64.63 -69.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 62.08 -71.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -57.01 -62.61 6.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.35 -91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.03 -45.19 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.598 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -52.19 -37.97 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.9 41.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 19' ' ' CYS . 50.1 m -139.19 140.2 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -54.4 83.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.5 p -77.49 60.28 2.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.6 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 41.77 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -144.72 22.77 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.606 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -166.43 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.12 -34.63 73.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.534 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.9 p-90 -97.07 -45.33 6.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.682 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.05 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.018 179.882 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 m 66.36 92.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -43.84 -62.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -136.69 9.19 3.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 81.22 55.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 1.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.2 pt? -144.74 29.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -78.74 -38.79 1.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.872 179.724 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 55.2 Cg_endo -86.59 10.65 3.54 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.427 2.085 . . . . 1.0 112.011 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.75 -27.87 7.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.39 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 66.0 mt -105.83 -49.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.1 -23.14 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.509 ' C ' ' H ' ' A' ' 38' ' ' VAL . 74.1 mtp -92.04 -51.9 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.72 33.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.509 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.6 t -137.22 -16.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -104.16 -58.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -86.51 10.21 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.619 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 38.4 tp -140.0 -37.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.43 -179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.74 7.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 44' ' ' THR . 9.7 t -148.66 -46.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 1.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 ' N ' ' CG2' ' A' ' 43' ' ' THR . 7.2 m -58.09 -12.96 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.02 -19.74 3.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 15.7 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 1.0 110.612 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.43 14.05 58.81 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -92.51 -1.99 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 1.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 75.2 t -103.15 -4.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.626 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.25 12.05 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.646 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' THR . 18.6 t90 -99.66 -84.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 10.0 t -60.54 -31.13 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.16 -39.63 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.72 29.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -137.83 -33.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 0.0 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -54.45 -19.11 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.561 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.12 -57.93 0.88 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.594 ' CE1' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -138.23 -101.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.742 0.305 . . . . 1.0 110.581 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.561 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 2.4 p80 -161.41 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.442 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 14.8 m170 -96.55 154.72 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.594 ' ND1' ' CE1' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -167.65 -178.89 4.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -160.66 60.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.622 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.2 42.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.52 144.73 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.49 -26.18 72.42 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -178.8 105.86 0.2 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -4.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 1.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -60.34 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.655 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.66 119.47 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -158.94 -44.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.587 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -87.13 -35.82 18.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 179.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.06 -66.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.538 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.39 65.0 2.52 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.2 -36.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.05 -21.88 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -53.13 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -94.37 43.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -143.55 -162.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.566 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -137.91 33.29 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.472 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 -36.2 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 61.2 m-85 -82.68 -49.81 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.7 p -46.99 -33.4 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.03 -22.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.0 p-90 -140.51 -74.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 3.5 mtmt 40.23 94.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 1.0 110.781 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.52 ' H ' ' HG ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -90.48 82.5 5.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.559 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -43.39 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -108.54 -3.44 32.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 83.18 49.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.954 0.407 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.57 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -140.61 27.0 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.172 179.404 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -74.73 -34.6 1.83 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.666 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.6 Cg_endo -83.41 27.78 0.6 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 122.017 1.811 . . . . 1.0 111.83 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.39 -67.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.163 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.563 ' H ' ' CD1' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -67.07 -48.36 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.011 179.696 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.39 -20.7 64.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.514 ' C ' ' H ' ' A' ' 38' ' ' VAL . 23.0 ttm -88.45 -60.26 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.31 40.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.625 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.8 t -141.8 -24.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -89.2 -38.14 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.33 -1.7 28.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.639 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -142.38 15.33 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.67 13.37 2.21 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -158.57 -42.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 1.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -75.4 -25.23 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -36.48 7.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.95 4.65 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 1.0 110.605 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.24 24.49 2.07 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 46' ' ' ASN . 35.0 mt -101.99 -4.78 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 1.0 110.519 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -95.02 -3.26 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pp -130.5 -30.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.484 ' NE1' ' NE ' ' A' ' 55' ' ' ARG . 15.5 t90 -59.79 -72.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -48.86 -48.51 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.529 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.6 t -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.524 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.66 -27.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' NE ' ' NE1' ' A' ' 51' ' ' TRP . 15.6 mtt-85 -92.7 -59.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.496 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' C ' ' H ' ' A' ' 58' ' ' GLY . 19.7 mmtt -49.17 -23.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 40.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.719 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -91.67 41.22 2.86 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -101.5 -89.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 1.0 110.528 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.35 140.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -50.01 -63.73 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.525 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 30.1 t60 -166.02 88.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.631 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.8 t60 -159.89 55.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.562 -179.964 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -95.63 73.39 3.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -56.79 162.67 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.97 -24.0 0.29 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 61.2 114.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -4.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 1.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.501 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 p90 -165.45 30.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.05 138.05 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.547 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 43.2 t-20 -95.59 27.02 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.26 -66.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.592 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.1 t80 71.46 -64.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.604 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.64 64.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -41.69 -28.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 1.0 110.579 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.13 -17.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.54 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.4 t30 -71.82 -54.08 11.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -98.07 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.567 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 19' ' ' CYS . 72.9 m -147.3 174.23 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 1.8 pt-20 -53.8 84.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 t -97.31 -40.27 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -146.22 55.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -137.89 12.87 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.532 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -149.32 -48.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.86 17.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.603 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 3.2 p-90 -143.17 20.99 1.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.63 116.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' O ' ' OG ' ' A' ' 26' ' ' SER . 41.9 p -102.2 91.36 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.641 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.09 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -50.75 -27.53 13.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 1.0 110.679 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 17.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.799 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.99 -37.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.297 179.8 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_endo -84.9 5.16 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.23 -28.27 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.45 -56.74 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.14 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.01 -15.4 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.51 ' C ' ' H ' ' A' ' 38' ' ' VAL . 38.1 ttm -91.75 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.6 t -137.39 -39.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -73.82 -16.01 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.2 2.27 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.559 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -145.48 32.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.93 24.95 0.11 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -174.16 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 1.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -84.4 -25.82 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.09 -27.37 0.41 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.54 18.01 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.03 30.97 8.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.5 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -93.9 2.88 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 1.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -100.11 -37.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.94 -0.18 47.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.67 -179.847 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -51.93 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 1.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -38.16 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.505 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.35 -19.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CD2' ' N ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -68.92 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.564 -179.916 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.596 ' N ' ' CD2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -59.74 -2.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' CD ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -98.05 -62.4 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.152 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.06 21.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.816 179.629 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.541 ' H ' ' CD ' ' A' ' 56' ' ' LYS . . . -53.09 93.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -152.57 -71.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 1.0 110.627 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 51.6 t-80 -148.28 77.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -53.61 133.56 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -82.82 -62.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 179.937 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 89.3 m-70 -158.47 44.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.468 ' CG ' ' OXT' ' A' ' 64' ' ' HIS . 2.5 p80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.565 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 48.77 40.95 17.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -169.9 126.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.149 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.81 -32.76 4.62 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 161.23 106.77 0.21 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.79 -3.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.0 110.631 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -137.7 10.45 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.531 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 18.0 p30 -50.67 87.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.564 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 57.1 t30 -155.94 31.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 98.4 m-85 54.4 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.1 t80 73.59 143.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 32.07 2.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -50.5 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 1.0 110.531 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -25.78 7.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -34.98 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -101.3 41.73 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 41.8 t -156.16 -168.17 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' OG ' ' A' ' 17' ' ' SER . 1.4 pt-20 -42.21 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' SER . 39.1 t -138.0 54.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.4 34.28 23.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.548 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -138.43 11.2 2.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.541 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 24' ' ' TRP . 9.0 t -158.15 -36.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.619 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.13 -6.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 22.1 p-90 -139.4 37.62 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.9 tpmt? -70.02 94.49 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.555 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p 80.12 131.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.4 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.7 m -72.67 17.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 139.92 -4.1 2.63 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 80.85 27.05 0.23 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.709 0.29 . . . . 1.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.29 -3.05 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -69.69 -35.39 5.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.442 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -65.37 -19.26 61.59 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.901 1.734 . . . . 1.0 112.152 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -105.0 -71.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.99 -179.638 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 mp -40.85 -28.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.64 -179.699 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 38.4 t80 -85.57 -73.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.767 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 36' ' ' MET . 3.6 ppp? -41.88 -24.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.745 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' TYR . 5.6 mt -72.62 -49.97 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.3 t -57.89 -27.4 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.99 -52.96 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.582 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.96 -6.13 15.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.91 26.11 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -140.08 5.73 2.77 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -165.02 -36.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 1.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 m -73.48 -25.77 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.26 -59.94 2.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -105.39 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 1.0 110.619 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.32 -36.0 0.1 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.9 pp -100.99 -20.23 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 1.0 110.734 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.94 -10.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.7 mp -88.84 7.14 35.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.747 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -114.74 -34.49 5.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.482 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.28 -41.77 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.547 179.862 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.84 -18.59 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -87.87 -7.58 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.512 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.74 -32.07 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.616 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.22 -70.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 tttt 40.79 38.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.691 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.01 60.82 4.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -140.49 -1.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -168.55 83.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.15 154.22 17.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.622 ' CD2' ' H ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -62.87 163.64 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.593 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 13.5 t-80 -172.01 41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.581 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.622 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 5.2 t-160 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.629 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -93.14 95.56 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.5 166.5 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.49 1.65 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.04 150.17 5.2 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -44.72 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 1.0 110.552 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 21.8 p90 -138.21 118.05 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.616 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -164.48 -174.91 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.56 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.2 t30 48.12 12.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.733 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 74.3 m-85 -158.27 -39.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 53.4 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -65.64 -68.96 1.47 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 66.68 36.83 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 1.0 110.571 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER 44.56 18.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.498 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ALA . 2.4 t-20 -84.15 -44.4 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -101.14 42.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -138.76 125.73 21.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 41.69 48.26 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 t -98.01 51.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 48.81 40.03 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.63 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 8.9 p90 -105.43 18.76 21.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.56 -39.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -64.85 -67.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.7 p-90 -45.87 -39.43 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.71 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' CG ' ' H ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 40.21 -129.03 0.38 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.504 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 6.5 m -166.88 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.3 m -59.45 -4.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.264 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 26' ' ' SER . . . 132.12 33.76 0.4 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 79.71 24.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 1.0 110.44 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.14 18.0 21.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.315 179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -79.49 -33.63 0.84 Allowed Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.751 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 64.0 Cg_endo -87.58 23.46 0.8 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 122.333 2.022 . . . . 1.0 112.176 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.48 -35.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 95.7 mt -91.05 -57.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.98 -15.24 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.523 ' C ' ' H ' ' A' ' 38' ' ' VAL . 48.7 mtp -88.76 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.86 38.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.534 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.1 t -137.88 -18.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -103.82 -54.38 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.54 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.36 12.57 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -146.45 -38.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.96 -34.07 2.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.2 t -139.54 -36.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.0 110.461 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.427 ' O ' ' CG2' ' A' ' 44' ' ' THR . 7.7 m -72.68 -10.59 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.409 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.72 16.5 8.11 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -160.03 121.47 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 1.0 110.616 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.29 -44.75 1.41 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -107.88 45.26 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.787 0.327 . . . . 1.0 110.323 179.919 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.91 6.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.3 mp -130.34 -3.04 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -34.06 7.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.532 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 t -93.42 -14.82 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.594 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.0 t -92.31 -16.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.4 m-85 -86.24 -7.77 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 -46.07 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.5 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -68.6 -15.22 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.563 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 59' ' ' HIS . 1.6 tmtp? -57.61 -24.07 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.578 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.05 40.5 0.56 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -139.92 -17.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.736 0.303 . . . . 1.0 110.614 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -102.13 5.69 40.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.555 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -50.38 -177.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.567 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 62' ' ' HIS . 7.4 p80 -100.77 21.46 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -163.23 42.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.612 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 3' ' ' GLU . 3.8 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.0 mp0 -68.54 66.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 1' ' ' MET . 5.0 mm-40 -50.61 150.64 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 -14.38 2.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -138.2 89.72 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.79 2.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 1.0 110.582 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' H ' ' C ' ' A' ' 5' ' ' GLY . 8.8 t80 -102.32 -58.42 1.88 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.59 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.09 131.65 48.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 t-20 -138.16 -44.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 77.1 m-85 -157.28 -43.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 67.16 126.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.89 33.4 56.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.56 -35.9 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.68 -15.78 2.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -100.62 42.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.1 173.92 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -45.64 105.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.69 -39.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.579 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -149.22 38.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.573 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -139.17 13.91 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -172.17 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.56 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 27.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 7.8 p-90 -159.82 30.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -48.34 -59.39 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' OG ' ' N ' ' A' ' 27' ' ' SER . 83.9 p -160.13 -76.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.513 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 74.24 29.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.825 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 126.06 14.71 2.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.06 -64.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 1.0 110.572 -179.942 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -100.54 -2.47 32.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.884 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.15 -38.27 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.159 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.2 Cg_endo -87.28 22.46 0.92 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.454 2.103 . . . . 1.0 111.785 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.23 -32.52 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.468 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.3 mt -101.62 -35.15 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.02 -32.73 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.9 tpp -76.9 -48.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.7 mt -74.68 20.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.584 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' GLY . 63.2 t -138.95 -25.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.11 -44.74 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.4 8.21 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mt -137.38 4.02 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -84.53 -35.14 14.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -149.47 -32.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 46' ' ' ASN . 1.9 m -66.88 -46.82 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.03 -12.29 1.77 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.433 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.7 OUTLIER -142.37 92.48 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 -179.934 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.07 -35.06 1.09 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.6 mt -100.06 8.77 43.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.6 -22.78 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -99.48 -14.3 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.686 ' HE1' HH21 ' A' ' 55' ' ' ARG . 0.9 OUTLIER -84.81 -71.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.591 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.9 t -47.96 -21.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.606 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 55' ' ' ARG . 5.5 t -83.95 -27.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' TRP . 18.2 t80 -69.93 9.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.123 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.686 HH21 ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -103.46 -46.56 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -70.9 -22.34 62.28 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.811 -179.73 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -70.93 40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.524 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -71.79 74.97 0.75 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.3 m170 47.0 16.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 1.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' N ' ' C ' ' A' ' 58' ' ' GLY . 0.2 OUTLIER -91.32 13.32 17.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.546 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.567 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.9 t-160 46.33 -140.18 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.567 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 1.4 t60 -71.18 -67.57 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.529 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 5.4 p-80 -157.23 44.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.582 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.964 -1.017 . . . . 1.0 110.566 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -90.29 81.49 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.64 110.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.68 46.43 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -102.16 -165.99 26.76 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' PHE . 3.1 t0 41.99 21.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 60.67 124.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.59 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.82 97.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.538 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' C ' ' H ' ' A' ' 11' ' ' TYR . 11.3 t-20 -127.88 -19.31 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 68.66 -39.39 0.41 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.683 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' H ' ' C ' ' A' ' 9' ' ' ASN . 3.8 t80 53.27 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 1.0 110.686 179.716 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 40.48 29.49 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.466 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -71.25 -155.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.531 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 46.44 15.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.497 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.466 ' H ' ' C ' ' A' ' 13' ' ' ALA . 17.1 t-20 -95.69 -35.46 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.387 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -107.01 39.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.51 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 m -140.45 165.76 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 3.1 pt-20 -54.3 108.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 29.9 t -93.67 -59.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 62.2 mt-10 -149.73 35.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -103.7 5.0 35.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.514 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.11 -46.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 19' ' ' CYS . 3.1 p-10 -75.37 28.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.5 p-90 -133.8 7.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.51 111.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.498 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 1.7 m -101.73 90.9 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -76.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.578 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -75.03 -10.82 84.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 80.32 41.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.779 0.323 . . . . 1.0 110.812 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.4 16.92 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.881 179.657 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -71.12 -36.9 5.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.024 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.3 Cg_exo -61.2 -17.56 53.26 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.053 1.835 . . . . 1.0 111.757 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -87.17 -80.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.651 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -33.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.692 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -73.83 -38.4 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.515 ' C ' ' H ' ' A' ' 38' ' ' VAL . 13.0 ttm -62.83 -35.51 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.21 19.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 36' ' ' MET . 46.1 t -138.99 -13.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -79.36 -58.41 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.6 7.64 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -135.08 4.2 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.598 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.02 -39.7 8.43 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 44' ' ' THR . 6.2 t -146.58 -39.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.742 0.306 . . . . 1.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.4 m -59.0 -26.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.552 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 41.45 2.34 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -35.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.722 -179.819 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . -135.11 -143.11 4.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 50' ' ' LEU . 60.2 mt 61.28 -67.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.526 0.203 . . . . 1.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 47' ' ' GLY . 9.3 p -71.23 29.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.274 . . . . 1.0 111.042 -179.605 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.548 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.8 pp -174.76 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.3 t90 -86.49 -80.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.582 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -54.53 -11.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 1.0 110.694 -179.702 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.421 ' H ' ' C ' ' A' ' 51' ' ' TRP . 7.2 t -91.73 -33.11 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.569 -179.944 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 56.9 t80 -68.91 -6.05 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.585 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -93.57 -33.01 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.483 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLY . 20.6 mttm -79.81 -69.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER 40.71 24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.64 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -65.82 68.35 0.12 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 14.2 m170 47.79 30.01 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 1.0 110.484 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -178.41 172.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.66 -30.57 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -162.76 174.27 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -162.13 43.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.054 -0.975 . . . . 1.0 110.537 179.985 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 47.77 49.6 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.96 152.24 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.546 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.19 48.78 1.82 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -142.39 -120.3 1.56 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -59.39 77.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.693 0.282 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -167.21 -41.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.548 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 6.4 t0 -55.35 119.07 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' TYR . 29.4 t-20 -139.62 6.24 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m-85 55.41 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 t80 78.62 -65.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.46 36.6 0.98 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -78.36 -151.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 1.0 110.529 -179.934 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' C ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.82 -9.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.626 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.96 -5.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' ' 14' ' ' ASP . 25.7 mt-30 -136.62 43.23 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -149.16 133.9 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.6 pt-20 33.11 40.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.305 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -67.3 -61.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -141.4 70.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -148.45 16.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.17 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -40.62 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.618 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.427 ' CD2' ' C ' ' A' ' 24' ' ' TRP . 9.2 p-90 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.559 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 18.8 ttmt -40.38 116.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.4 m -75.51 -79.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.533 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.6 p 78.39 -14.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.627 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -153.75 15.38 0.62 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.52 -68.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 1.0 110.614 179.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.17 4.16 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -65.16 -40.97 49.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.72 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.3 Cg_exo -59.73 -47.34 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.289 1.993 . . . . 1.0 112.059 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -49.33 -33.0 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.46 -179.868 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.7 mp -93.82 -33.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -78.61 -59.81 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.362 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' PRO . 41.9 ttm -49.31 -51.68 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.479 179.726 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.3 mt -71.13 15.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.825 -179.694 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' H ' ' C ' ' A' ' 36' ' ' MET . 38.8 t -136.47 -14.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.475 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 48.8 t80 -69.57 -15.8 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.21 -6.29 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.96 76.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -18.69 0.36 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.505 ' C ' ' H ' ' A' ' 45' ' ' GLY . 13.1 t -137.29 -44.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 ' N ' ' CG2' ' A' ' 43' ' ' THR . 5.1 m -52.82 -9.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.27 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.505 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 113.38 0.83 24.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 40.37 62.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.71 41.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.95 -47.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.569 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.96 -16.94 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.619 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.9 pp -109.56 1.6 19.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' ' 52' ' ' THR . 24.7 t90 -87.51 -100.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -40.46 -33.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.476 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.11 -51.61 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.9 m-85 -53.94 -20.51 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.294 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.6 -59.45 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' NZ ' ' O ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER 41.52 34.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 179.977 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' C ' ' CD2' ' A' ' 59' ' ' HIS . . . -99.3 56.49 0.91 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 1.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 58' ' ' GLY . 24.4 m-70 -142.89 -27.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.794 0.331 . . . . 1.0 110.641 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.443 ' O ' ' NZ ' ' A' ' 57' ' ' LYS . 31.3 t-80 -140.88 77.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.663 179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.32 113.84 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -93.87 178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -169.69 41.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.551 -179.965 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 2' ' ' GLU . 0.1 OUTLIER 62.75 41.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.51 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.14 153.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . -176.58 28.87 0.07 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 4' ' ' GLY . . . -55.43 -163.01 0.02 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 1.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 17.9 p90 -139.91 -22.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.08 106.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 7' ' ' PHE . 3.8 m-20 -100.59 -50.13 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -137.94 -33.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 -179.964 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' C ' ' H ' ' A' ' 13' ' ' ALA . 15.5 t80 64.52 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 -179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.83 -28.79 3.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -86.36 -18.74 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.616 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.26 -14.09 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.96 -36.35 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -101.33 42.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.52 153.35 23.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 45.25 40.49 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 1.3 m -128.5 79.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.222 179.833 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.0 mm-40 57.07 15.13 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 61.9 m-85 -105.78 94.25 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.196 179.686 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.632 ' H ' ' HE1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 69.82 -12.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.475 -179.76 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 21' ' ' TYR . 1.2 p30 -85.23 27.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.553 179.789 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.632 ' HE1' ' H ' ' A' ' 22' ' ' THR . 4.8 p-90 -142.66 -67.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 25.4 mmtt 52.19 10.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.7 p 174.34 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.34 -2.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -166.4 23.52 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.54 -27.65 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.63 3.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.3 mm -75.43 -35.73 1.92 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.27 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.9 Cg_exo -61.33 -3.99 3.71 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.079 1.852 . . . . 1.0 111.925 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.72 -77.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.698 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -64.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.683 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -51.98 -45.06 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.629 -179.932 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.597 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 14.5 ttp -61.8 -34.95 76.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.54 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LEU . 11.3 mt -74.78 38.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.534 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.488 ' H ' ' C ' ' A' ' 36' ' ' MET . 57.9 t -136.74 -36.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.562 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 5.1 t80 -63.2 -22.05 66.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.53 5.16 3.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.217 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 37' ' ' LEU . 5.8 tp -152.6 69.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.51 -23.02 0.11 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.52 ' C ' ' H ' ' A' ' 45' ' ' GLY . 10.1 t -130.86 -44.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 1.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.404 ' N ' ' CG2' ' A' ' 43' ' ' THR . 1.3 t -52.41 -10.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.075 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 112.63 50.83 0.55 Allowed Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.84 81.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 149.67 -14.94 1.06 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -90.85 -22.89 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.495 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.58 20.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.532 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mp -132.31 -1.69 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.91 -59.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.557 -179.949 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -78.29 -34.12 49.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.604 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.84 -18.68 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.82 -14.66 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -95.49 -22.46 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 58' ' ' GLY . 22.6 mttm -68.83 -53.5 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.58 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -2.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 72.56 -91.29 0.56 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 29.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 1.0 110.58 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.81 -179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -143.73 74.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.547 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -54.3 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -176.97 42.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.594 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 35.7 t-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.06 -0.972 . . . . 1.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -148.59 77.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.9 168.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.9 -43.64 0.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.507 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . 142.02 -134.3 6.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 1.0 110.592 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 5' ' ' GLY . 90.0 m-85 -150.45 -117.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' PHE . 12.1 t70 41.81 92.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.7 t30 -132.1 -4.17 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 66.52 -35.94 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.169 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.558 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.0 t80 73.89 -145.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 1.0 110.49 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -40.25 -29.88 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.56 -71.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 1.0 110.645 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -47.52 -30.06 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.512 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.46 -38.3 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -100.74 41.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.0 m -87.14 91.34 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' SER . 17.4 pt-20 33.22 42.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.362 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -83.86 -53.99 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 2.4 pt-20 -174.76 27.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.449 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 36.2 m-85 -102.54 31.7 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 24' ' ' TRP . 10.1 t -172.34 -32.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.593 179.95 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.9 26.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 7.3 p-90 -138.72 -59.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 6.1 mtmt 40.8 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.611 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.13 116.1 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -73.73 56.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 97.45 10.65 53.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.69 17.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.6 mp -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.533 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 1.7 mp -67.9 -59.83 6.08 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.285 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 10.0 Cg_endo -51.43 -13.95 1.58 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.816 1.677 . . . . 1.0 112.098 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -94.86 -75.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.0 mt -47.42 -33.8 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -72.54 -27.06 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.505 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.0 ttp -77.53 -44.35 28.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.48 16.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.6 t -136.95 -22.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.3 t80 -68.45 -39.07 81.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.52 3.01 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -137.7 21.03 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.599 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.46 8.58 3.44 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -163.0 -42.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 m -71.79 -16.5 62.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.525 -179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.44 -58.09 5.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 41.86 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.98 -16.43 0.61 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -91.17 6.25 45.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 1.0 110.663 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 41.8 t -103.35 -9.89 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -132.38 14.5 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.493 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.8 t90 -100.7 -70.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.537 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 8.7 t -71.08 -32.41 69.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.525 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.507 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.2 t -64.04 -39.31 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.68 22.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.2 mtp180 -137.25 -26.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -98.74 -12.21 21.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -65.49 68.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.6 -179.925 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -80.02 27.28 2.71 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -175.22 92.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 1.0 110.653 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.38 117.87 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.549 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 2.5 t-80 70.34 -171.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.575 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -156.1 177.51 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.84 60.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.582 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.565 -179.979 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 62.23 41.88 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -43.46 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.54 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.24 -50.66 0.73 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 139.28 136.77 3.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.88 -4.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 1.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -60.2 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -56.35 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -145.54 -40.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.22 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.602 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 83.8 t80 54.68 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.88 59.77 1.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.37 81.38 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 1.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 t0 45.43 17.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.527 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.7 m120 -101.56 -52.77 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 11' ' ' TYR . 2.7 mt-30 -103.66 40.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.87 82.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 46.73 43.71 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -40.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.451 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -150.83 20.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 25' ' ' LYS . 4.7 p90 -83.06 -0.36 48.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.585 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' TRP . 13.9 p -101.98 -30.93 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.51 179.79 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' N ' ' HG1' ' A' ' 22' ' ' THR . 5.5 t70 -41.94 -21.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.366 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p-90 -150.14 109.99 4.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.442 179.838 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 21' ' ' TYR . 8.8 mmtp -114.48 6.86 16.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -172.6 126.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -19.22 15.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.73 15.36 1.99 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.77 28.59 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -135.41 -34.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' C ' ' H ' ' A' ' 33' ' ' ALA . 6.2 mt -47.96 -59.7 5.41 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.335 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -50.27 -7.85 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.804 1.669 . . . . 1.0 112.089 179.843 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.509 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -95.39 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -19.64 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.78 -38.74 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.5 ' C ' ' H ' ' A' ' 38' ' ' VAL . 19.5 ttm -63.03 -41.59 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.503 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.37 38.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.5 ' H ' ' C ' ' A' ' 36' ' ' MET . 21.5 t -137.93 -34.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -2.98 40.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.63 31.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.53 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -163.88 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 -30.12 11.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' CG2' ' N ' ' A' ' 44' ' ' THR . 14.6 t -99.58 -43.19 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 1.0 110.597 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.454 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.2 t -79.68 -28.76 40.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.536 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -80.22 -48.1 6.62 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -158.84 95.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 1.0 110.555 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.13 31.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 -4.55 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 1.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 49' ' ' VAL . 86.5 t -97.87 -2.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 2.0 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.4 t90 -102.06 -53.49 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.531 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.12 -42.26 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.46 179.877 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.59 -27.44 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -57.9 -67.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -58.05 -28.44 64.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -71.11 -24.3 62.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.576 ' CE ' ' HE2' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -41.56 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.698 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 101.79 51.89 1.07 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 -179.669 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -42.11 -20.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.732 0.301 . . . . 1.0 110.607 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.3 t60 -76.72 47.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.488 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.576 ' HE2' ' CE ' ' A' ' 57' ' ' LYS . 28.0 m170 -41.38 154.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.606 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -93.54 122.11 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.561 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -169.52 47.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.422 -0.584 . . . . 1.0 109.422 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -139.26 42.09 2.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.544 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -56.58 120.07 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.0 46.58 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.02 138.45 48.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.84 -25.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 1.0 110.633 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 36.4 p90 -167.03 -53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.565 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 9.8 t70 42.9 94.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.5 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' TYR . 68.8 m-85 -92.64 -55.58 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 12.3 t80 55.77 161.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.613 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 41.18 30.75 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -74.98 -162.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 1.0 110.588 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -5.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.499 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.72 -36.85 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.493 -179.947 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.05 41.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -151.01 -172.03 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' ' CD ' ' A' ' 18' ' ' GLU . 3.0 mp0 -57.23 97.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -102.79 92.02 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.557 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 12.1 mt-10 52.79 24.72 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 35.5 m-85 -97.23 -7.61 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.487 ' C ' ' H ' ' A' ' 24' ' ' TRP . 8.4 t -173.24 -32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.589 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.39 35.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.5 p-90 -149.95 -53.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.562 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 29.8 mmtt 42.9 -99.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.617 ' HG ' ' H ' ' A' ' 27' ' ' SER . 88.3 p -165.69 -72.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.617 ' H ' ' HG ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.53 18.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.788 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.07 2.92 2.94 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.85 -43.88 64.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.018 -0.273 . . . . 1.0 110.897 -179.738 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.11 4.91 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.353 179.692 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.6 mt -69.63 -35.79 6.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.801 179.345 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.2 Cg_exo -65.2 -13.52 40.22 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.882 1.721 . . . . 1.0 111.551 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.51 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -58.22 -68.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.668 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -41.43 -31.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.68 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.532 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 6.0 ttp -80.74 -43.44 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -5.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 36' ' ' MET . 99.1 t -102.72 2.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.61 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 1.3 t80 -102.37 -72.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.57 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 39' ' ' PHE . 1.8 pp -57.3 -21.58 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.76 -24.26 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 -179.949 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.53 -51.91 5.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -153.58 -18.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 1.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.521 ' C ' ' H ' ' A' ' 46' ' ' ASN . 10.8 m -83.26 -11.32 57.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -48.5 -11.53 0.15 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 42.38 38.72 1.27 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 109.886 -179.712 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . 58.51 116.14 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.319 -1.113 . . . . 1.0 110.319 -179.658 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 50' ' ' LEU . 6.1 mp -52.56 -10.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 1.0 109.831 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.529 ' H ' ' C ' ' A' ' 47' ' ' GLY . 4.5 m -54.41 -8.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.292 179.524 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 48' ' ' LEU . 93.4 mt -106.78 21.5 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.643 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 2.0 t90 -126.72 -51.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 t -76.95 -33.23 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.516 ' C ' ' H ' ' A' ' 55' ' ' ARG . 55.6 t -59.56 -36.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -72.61 15.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.643 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -139.05 1.18 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -74.0 -58.47 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -15.89 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.517 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 102.68 52.95 0.94 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.529 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 2.1 m170 64.9 -69.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 1.0 110.566 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.4 t-160 -154.72 115.61 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.53 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 2.0 t-80 -93.61 -161.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.635 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.53 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 12.4 t-80 -64.86 163.92 13.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -159.67 45.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.49 -179.936 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.01 73.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -51.71 140.05 19.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.53 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 14.34 63.53 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.52 99.87 0.26 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.28 -9.21 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 1.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 9.1 t80 -55.36 -12.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -3.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.497 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.541 ' C ' ' H ' ' A' ' 11' ' ' TYR . 34.1 t30 -101.65 4.79 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 72.03 -32.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.781 -179.862 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER 66.36 -152.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 -179.916 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.16 81.08 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.63 -0.988 . . . . 1.0 110.63 179.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.16 -55.7 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.83 0.348 . . . . 1.0 110.699 -179.534 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -58.35 -30.51 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.84 -31.82 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -102.65 41.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.488 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 m -94.6 49.47 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 44.83 44.81 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.587 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.77 -64.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 48.3 mt-10 -144.34 62.93 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.512 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.4 m-85 -145.45 31.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -170.89 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.569 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -86.31 39.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.562 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 5.3 p-90 -168.55 25.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -41.51 -36.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.48 108.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -84.36 48.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.647 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . 150.49 -38.55 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 83.24 48.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.815 0.341 . . . . 1.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.4 pt? -158.49 19.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.486 179.335 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.69 -38.29 7.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.29 179.809 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_endo -84.4 16.54 1.92 Allowed 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.289 1.993 . . . . 1.0 112.039 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.471 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -123.54 -21.39 5.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.5 mp -105.77 -63.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -46.29 -38.22 8.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.547 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 tpp -78.01 -50.74 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.645 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 48.2 mt -75.38 30.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.637 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 36' ' ' MET . 35.3 t -144.72 -22.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.601 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.1 t80 -77.94 -48.18 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.484 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.23 7.94 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.37 15.78 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 0.68 3.69 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -149.97 -50.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 1.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 44' ' ' THR . 6.8 m -63.93 -12.1 34.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.92 -64.03 1.35 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -159.01 -109.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 1.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' A' ' 49' ' ' VAL . . . -62.25 -130.42 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt 64.68 -7.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.578 0.228 . . . . 1.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.545 ' H ' ' C ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.6 -29.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.853 -0.425 . . . . 1.0 109.853 179.479 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.18 3.9 6.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.994 178.926 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 14.1 t90 -84.58 -81.72 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.16 -50.56 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.696 -179.881 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 55' ' ' ARG . 39.5 t -49.37 -43.31 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -73.3 14.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 53' ' ' VAL . 23.9 mtp85 -138.07 -25.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' NZ ' ' OG1' ' A' ' 52' ' ' THR . 22.1 mmtp -72.37 -14.86 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.559 179.912 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -53.74 -22.72 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.584 179.981 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 45.73 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.9 m-70 40.08 -90.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.746 0.308 . . . . 1.0 110.749 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -142.96 169.83 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.983 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 1.38 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.544 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t60 69.74 124.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.58 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -168.03 44.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t60 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.926 -1.035 . . . . 1.0 110.532 179.979 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -99.73 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 8' ' ' ASP . 18.7 mt-10 -51.06 152.08 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.549 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.0 -4.94 53.99 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -95.24 119.15 6.08 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -2.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -137.28 -27.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.631 179.922 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' OE1' ' A' ' 3' ' ' GLU . 24.5 t0 -45.28 132.8 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.629 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 37.2 p-10 -89.79 -40.52 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 82.9 m-85 -153.4 -79.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 t80 70.61 -66.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.09 30.85 1.34 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -67.13 -155.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 1.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 46.35 15.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 8.6 t-20 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.4 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -106.07 39.82 1.72 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 -169.72 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.47 122.99 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.04 -53.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -141.65 32.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.493 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 54.9 m-85 -137.78 27.15 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.505 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 4.6 t -172.56 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.32 46.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 15.0 p-90 -163.47 -62.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.567 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.54 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.0 mmtt 48.14 73.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.57 124.95 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -44.02 23.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 29' ' ' ALA . . . -138.7 4.35 3.0 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 28' ' ' GLY . . . 77.61 42.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -140.72 15.94 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.55 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -77.02 -35.02 1.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 179.846 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.2 Cg_endo -86.88 12.62 2.93 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 122.383 2.055 . . . . 1.0 112.043 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.466 ' O ' ' CD1' ' A' ' 37' ' ' LEU . . . -108.28 -27.8 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.67 -65.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.513 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -53.8 -13.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 ttm -99.47 -68.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.473 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 33' ' ' ALA . 53.9 mt -47.47 -46.65 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' GLY . 68.6 t -49.24 -32.08 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.531 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.42 -43.41 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.54 15.64 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -153.04 15.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.622 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -137.65 21.75 3.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 42' ' ' GLY . 1.8 m -177.28 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -54.78 -32.43 60.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -47.22 -62.95 3.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 40.07 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 1.0 110.828 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.46 -13.28 3.74 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 ' CD2' ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -84.94 -8.05 58.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 1.0 110.441 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 m -100.71 -3.56 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.636 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -135.63 1.04 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.626 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.563 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 6.5 t90 -83.64 -74.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.507 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -46.98 -46.99 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.581 179.878 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.91 -22.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.31 19.77 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.563 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 24.7 mtt85 -135.16 -31.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 10.84 39.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -60.79 -41.46 95.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.449 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . 65.41 31.95 81.98 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.4 OUTLIER 65.75 -158.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 1.0 110.578 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -43.09 111.64 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -66.22 109.41 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.42 157.9 36.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -158.62 56.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.9 m80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.639 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -57.99 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 1.0 110.569 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.23 -7.44 0.12 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.04 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.8 t70 -45.29 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.0 110.582 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 18.8 t-20 -99.64 27.27 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.527 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 62.99 -70.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 69.45 149.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.23 30.88 0.49 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.14 -19.76 65.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 16' ' ' GLN . 1.4 m-20 -56.99 -13.36 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -66.6 1.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 14' ' ' ASP . 23.3 mt-30 -138.89 41.76 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -140.08 165.02 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.577 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.08 89.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.3 m -139.06 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.583 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -141.22 40.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -139.68 6.22 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.0 t -138.44 -37.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -73.1 -34.31 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.55 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 1.1 p-90 -94.44 8.13 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.554 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -32.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -159.23 -74.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.04 -51.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.96 24.89 9.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.65 48.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 1.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.0 tp -172.22 -32.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.316 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -72.92 -35.47 2.91 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.412 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.24 -8.78 9.02 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.154 1.902 . . . . 1.0 112.017 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.03 -63.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -53.64 -30.9 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -82.61 -8.03 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 ttm -96.36 -31.62 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.22 -17.2 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.2 t -101.43 -3.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -75.14 -39.4 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.51 4.7 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -137.49 24.19 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 4.37 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -161.36 -57.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -50.51 -23.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.18 -75.87 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.7 m120 -137.05 -110.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.643 0.259 . . . . 1.0 110.452 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.5 22.37 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ASN . 5.1 mt -135.9 -45.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -45.06 -17.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.1 mp -92.8 -45.18 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -50.51 -58.93 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.541 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.51 ' OG1' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -51.09 -47.3 61.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 53' ' ' VAL . 96.7 t -73.81 5.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.87 -18.5 22.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.539 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -95.51 -9.27 32.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.565 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OG1' ' A' ' 52' ' ' THR . 30.3 mttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -26.26 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.6 p90 -138.83 -34.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 13.5 t70 -47.28 91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.521 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -138.2 -41.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.568 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -65.28 -47.41 76.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.69 145.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.24 37.72 4.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.83 -96.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 1.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -22.44 39.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.561 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -50.64 -36.81 37.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.21 41.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.1 t -150.88 -162.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' SER . 40.0 t -100.63 -36.98 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.553 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -149.89 52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -138.43 10.29 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' TRP . 4.9 t -174.13 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.29 21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 33.0 p-90 -138.49 -53.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 28.8 mmtt 43.45 -94.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.561 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' TRP . 94.6 p -172.0 124.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.669 ' H ' HD11 ' A' ' 31' ' ' ILE . 5.4 t -85.8 43.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.637 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 102.12 13.4 31.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.42 30.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 1.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.22 17.36 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.382 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -88.4 -39.38 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.096 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -59.62 2.35 0.3 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.29 1.993 . . . . 1.0 112.113 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -129.5 -59.9 1.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mt -47.66 -55.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -24.72 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 ttp -74.2 -27.89 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.1 mt -78.55 -24.37 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.11 -29.48 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.588 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 41.1 t80 -69.41 -22.85 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.82 26.79 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.7 tp -172.28 51.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.69 -23.76 0.1 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -125.73 -36.75 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.904 0.383 . . . . 1.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -57.47 -30.27 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.33 -63.9 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 1.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.89 34.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' LEU . 54.7 mt -105.92 -62.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 1.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -50.49 -10.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.2 mt -102.66 -21.72 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.524 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.502 ' CD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -85.78 -55.21 4.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 8.1 t -45.99 -32.9 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.52 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.92 -31.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' TRP . 2.3 t80 -60.98 -30.7 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -85.71 -36.81 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.609 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.68 -25.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 1.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -140.46 -39.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 31.3 t70 -48.09 165.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -161.7 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -50.02 -46.57 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.81 -158.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.19 -30.64 0.46 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.61 -166.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -30.96 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -45.04 -52.43 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -95.45 46.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 t -139.7 166.07 25.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -42.18 99.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.85 -30.61 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.1 mt-10 -138.04 -41.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.612 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.59 66.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -160.74 -48.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.585 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -64.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 p-90 -66.13 -19.12 65.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 117.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p -77.73 -74.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.611 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.75 -2.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.528 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -169.63 24.83 0.1 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -105.33 -64.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 1.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.96 17.25 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.9 mm -79.88 -35.57 0.95 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.46 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.2 Cg_exo -60.16 -15.81 36.41 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.162 1.908 . . . . 1.0 111.958 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.73 -59.08 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.8 mt -54.83 -64.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -43.03 -39.69 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 mmm -63.5 -58.93 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.05 31.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 23.9 t -138.56 -21.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 1.3 t80 -83.68 -40.69 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.15 -8.72 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.05 26.94 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.58 22.36 0.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -170.03 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -101.26 -32.31 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.614 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.1 -0.48 61.71 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.17 4.78 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 1.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.72 19.49 54.49 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.2 mt -135.21 -27.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -74.09 14.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.475 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -144.74 9.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.682 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.445 ' N ' HD12 ' A' ' 50' ' ' LEU . 3.0 t90 -103.33 -52.88 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.545 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.1 t -80.56 -29.58 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.555 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.39 -40.11 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -14.58 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.633 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -102.24 5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 42.27 23.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -143.67 -5.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.5 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -46.36 124.07 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -158.81 -47.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -52.4 -44.25 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 1.8 t80 69.66 -65.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.539 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.52 -31.65 14.7 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -42.73 -28.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 1.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 11' ' ' TYR . 3.3 p30 -49.1 -17.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 40.1 t-20 -50.73 -35.11 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 41.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' CYS . 64.0 m -139.74 -168.15 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 16.0 p -101.28 -37.09 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.0 mt-10 -144.92 48.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 33.5 m-85 -140.99 27.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -173.8 -34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -82.64 5.46 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' NE1' ' O ' ' A' ' 20' ' ' GLU . 7.2 p-90 -141.04 35.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 162.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -74.64 -74.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.626 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 74.37 -15.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.56 3.27 3.21 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 26' ' ' SER . . . -127.88 -7.9 5.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.631 0.253 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.3 mm? -110.96 -12.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.413 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.673 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -89.27 -39.49 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.26 -18.07 42.95 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.273 1.982 . . . . 1.0 111.933 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.92 -55.39 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' TYR . 57.7 mt -54.94 -79.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' ILE . 83.2 t80 -41.49 -44.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.3 ttm -51.88 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.67 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.5 -42.37 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.35 23.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.9 t80 -108.42 -33.69 7.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -82.63 -12.87 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.34 18.31 3.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.01 -14.9 2.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -142.66 -60.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -44.04 -26.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.587 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' HD12 ' A' ' 48' ' ' LEU . . . -69.38 -48.63 43.73 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.76 20.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 144.21 35.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD12 ' HA2' ' A' ' 45' ' ' GLY . 95.7 mt -130.52 -34.54 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 1.0 110.452 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 49' ' ' VAL . 8.1 p -87.81 -4.54 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.521 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -131.88 -3.37 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.694 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 4.4 t90 -86.19 -74.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -45.58 -46.27 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.545 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -49.74 -34.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -67.92 -22.28 65.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.522 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.694 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 17.3 mtt85 -99.05 -39.15 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -3.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 5' ' ' GLY . 12.5 p90 -151.66 29.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.599 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 15.3 p-10 -51.62 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.587 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -153.81 -42.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.58 -31.1 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' C ' ' H ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER 70.84 -66.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.543 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.33 29.87 1.18 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -61.7 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 1.0 110.503 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 47.87 12.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.532 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 13' ' ' ALA . 24.4 t30 -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.025 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.568 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -108.86 33.36 4.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.32 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -145.12 171.95 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.552 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.48 78.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.1 p -47.15 -61.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.633 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt-10 -136.9 4.1 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 62.4 m-85 -81.31 60.29 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -174.87 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -76.7 61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 26' ' ' SER . 67.4 p-90 -174.18 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.719 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.3 mmtt -39.33 91.51 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 79.26 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.466 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -92.0 42.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 154.19 -22.26 0.67 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.996 -0.841 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 42.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.97 2.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -78.88 -39.42 1.5 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.164 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.8 -5.71 3.86 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.24 1.96 . . . . 1.0 111.939 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.04 -80.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -41.72 -32.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.583 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -76.67 -51.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.75 -24.35 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.59 -9.64 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 95.4 t -93.97 -7.95 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.01 -33.18 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.492 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.22 -5.24 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.589 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.37 70.12 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -19.31 0.22 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.5 m -125.66 -37.79 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 1.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.2 t -50.34 -11.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.511 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -39.2 -94.02 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' LEU . 4.0 t-20 -156.87 -139.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 1.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.12 -7.05 1.86 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' ASN . 5.1 mt -90.61 -1.67 57.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.346 . . . . 1.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 70.3 t -99.56 -2.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.6 3.31 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.654 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.5 t90 -101.8 -79.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.456 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -67.88 -34.57 76.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.508 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.2 t -69.92 -32.45 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.62 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 74.2 t80 -74.94 21.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.59 -10.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.624 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tptp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.557 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 6.2 t0 -70.46 13.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 13.5 m-85 -144.72 4.29 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 2.9 p30 -50.6 128.06 19.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.607 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -89.19 13.54 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 62.68 -71.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 3.0 t80 69.61 143.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.2 37.86 2.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.59 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.559 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -21.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -50.95 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -97.67 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 96.78 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 42.98 42.03 2.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 21' ' ' TYR . 22.0 p -83.69 62.61 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.582 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.7 mt-10 42.45 52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.7 p90 -143.64 25.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -144.5 -37.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 32.5 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.33 -33.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.622 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 60.29 -73.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -173.97 -74.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.0 -12.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.507 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -148.96 13.49 1.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.58 56.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -173.27 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -70.87 -39.55 8.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.24 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.42 -2.43 1.38 Allowed 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.256 1.971 . . . . 1.0 112.017 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -102.83 -59.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.539 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -57.06 -55.2 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.23 72.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.0 ttp -74.03 -33.87 63.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -40.0 94.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' GLY . 58.4 t -52.48 -34.64 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -71.88 -25.75 62.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -103.28 0.02 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.593 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.67 8.61 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -87.45 -48.69 4.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -140.68 -33.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 1.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 44' ' ' THR . 8.5 m -63.17 -12.79 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.557 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.25 -40.61 2.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -102.87 44.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 1.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.25 22.05 2.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.71 -9.46 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -91.73 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -140.2 8.7 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 52' ' ' THR . 23.6 t90 -96.7 -86.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.576 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 3.0 t -53.36 -37.32 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.11 -32.27 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.91 -46.76 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.71 23.32 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -44.69 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.2 p90 -140.63 45.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.23 112.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.561 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.3 p-10 -93.62 21.13 6.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.84 -40.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.598 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.7 t80 75.12 -161.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -41.17 -30.6 0.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 -84.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 1.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m-20 -58.14 -49.38 77.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.21 -37.39 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -100.55 41.59 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -143.67 -164.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.591 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.48 87.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.518 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -145.37 100.77 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 6.6 mt-10 62.87 -0.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.669 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 1.3 m-85 -108.05 26.03 10.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.567 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -174.09 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.587 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -72.7 53.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 34.8 p-90 -172.32 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -41.32 99.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 74.48 101.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.567 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -66.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.22 -29.72 59.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.27 44.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 1.0 110.666 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 18.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.697 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.605 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -71.75 -38.74 6.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.195 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -86.86 14.85 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.499 2.133 . . . . 1.0 112.071 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -115.84 -31.4 5.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -106.45 -37.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -75.95 -29.61 58.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 38' ' ' VAL . 15.5 mmm -85.09 -46.95 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 33' ' ' ALA . 41.3 mt -75.32 28.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 41.4 t -143.09 -9.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.54 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -90.36 -35.25 15.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -101.14 5.45 42.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.598 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.8 mt -143.65 15.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 -0.21 3.85 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 -63.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 1.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -47.2 -22.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.51 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.43 -64.43 2.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.466 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 51.3 p30 -107.26 -128.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 1.0 110.675 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.466 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . 40.74 39.59 1.9 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.91 -10.25 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 1.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.68 11.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.559 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -136.92 4.5 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.549 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -97.97 -68.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.591 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -47.51 -46.36 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -43.44 -26.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -82.32 -38.46 24.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 1.5 mpt_? -71.55 -35.43 70.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.532 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 41.82 22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 1.0 110.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 46.84 46.95 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.572 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -51.06 161.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' TYR . 9.0 p30 -81.73 2.75 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 65.01 -69.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.55 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.503 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 -53.84 1.56 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 44.21 35.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 1.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 45.38 17.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.7 t30 -70.65 -39.3 73.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.75 41.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.7 139.2 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 40.34 35.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.74 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 5.7 t -102.34 91.09 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 8.6 mt-10 58.07 21.81 8.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 50.7 m-85 -101.1 13.21 35.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.88 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.524 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.41 40.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.2 p-90 -160.31 -41.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.5 mmtt 41.85 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' TRP . 12.7 p -172.6 126.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.0 p -102.3 53.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.609 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.66 -26.02 2.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.8 41.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 1.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.06 13.02 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.6 mp -79.72 -34.5 0.88 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.509 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.0 Cg_exo -59.5 -32.5 96.39 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.046 1.83 . . . . 1.0 111.977 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.71 -61.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.3 mt -53.42 -32.69 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 31.4 t80 -77.78 -16.22 58.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -88.07 -43.01 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.552 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -74.84 20.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 77.9 t -142.42 -15.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 9.3 t80 -78.27 -14.36 59.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.96 -9.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.526 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -138.2 62.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.86 -25.77 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.14 -47.23 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.0 110.307 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -45.88 -31.62 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.15 -83.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.06 16.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.65 38.91 3.16 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -100.75 -5.63 26.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 49' ' ' VAL . 74.1 t -100.14 -3.23 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 8.07 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.491 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.7 t90 -92.57 -78.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.573 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.11 -32.69 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.32 -30.28 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.63 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.61 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -71.84 -9.23 58.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.623 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mptt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.44 20.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 1.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' GLY . 4.1 m-85 -155.95 123.45 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.35 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -99.45 -0.79 40.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 67.58 -66.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t80 79.17 102.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 71.48 -59.11 1.21 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.57 -84.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 1.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -53.18 -38.95 63.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -42.56 -37.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.39 41.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.58 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ASP . 43.8 t -138.74 169.9 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 1.9 mp0 -57.11 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.53 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.43 30.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.4 mt-10 -144.57 -36.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 75.6 m-85 -89.59 5.46 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.1 p -142.32 -35.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.9 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 12.3 p-90 -106.55 -68.85 0.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.037 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.52 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.692 0.282 . . . . 1.0 110.847 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -101.59 91.82 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 m -73.0 37.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.597 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 127.76 5.63 5.3 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.59 34.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 31' ' ' ILE . 4.3 mm? -101.32 16.76 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.37 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -39.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.279 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.0 Cg_exo -58.67 -16.95 33.03 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.215 1.943 . . . . 1.0 112.043 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.55 -69.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mt -43.26 -45.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.87 -38.91 87.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 ttm -64.21 -52.67 57.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.61 -57.56 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.4 t -44.51 -26.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.59 -45.93 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.88 -4.47 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.63 16.23 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -138.65 8.48 3.38 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.9 m -155.97 -53.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 1.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -28.05 68.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.52 -61.97 3.04 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.14 14.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -84.07 11.74 56.48 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.08 2.59 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 1.0 110.591 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 49' ' ' VAL . 80.3 t -93.13 -0.77 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.531 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.94 -34.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 17.9 t90 -49.46 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.66 -43.36 2.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.602 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -51.15 -37.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.23 -42.95 92.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -101.2 22.81 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.381 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.41 -38.7 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -151.52 17.45 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -56.25 133.76 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.619 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 11' ' ' TYR . 11.4 p30 -85.67 21.38 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.526 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.9 m-85 62.77 -71.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 69.4 t80 49.66 -87.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.6 48.6 1.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -80.34 -69.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 1.0 110.607 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.67 -17.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ALA . 21.0 t-20 -61.12 -37.01 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.23 41.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' CYS . 43.6 t -144.47 127.68 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -43.24 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.514 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.4 t -94.71 -54.16 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.69 27.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 22.0 p90 -137.64 50.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 t -173.57 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -5.27 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.5 p-90 -140.22 -70.84 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 48.93 100.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.57 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.2 p -151.63 80.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -77.95 46.02 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 138.59 -5.58 3.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 69.42 50.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 1.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 20.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.526 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.8 mm -80.77 -35.77 0.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.468 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.2 Cg_exo -59.75 -17.98 45.98 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.13 1.887 . . . . 1.0 111.99 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.21 -58.27 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.528 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.9 mt -51.45 -30.41 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.635 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -79.9 -30.89 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.27 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.73 -17.21 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 34' ' ' ILE . 99.5 t -92.96 -7.16 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.13 -32.14 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -5.64 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.18 75.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.96 -14.97 0.59 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.459 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -131.72 -37.62 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.769 0.319 . . . . 1.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -48.5 -13.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 43' ' ' THR . . . -66.66 -81.14 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -138.27 57.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.713 0.292 . . . . 1.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.56 -23.87 4.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.8 pp -103.46 -18.46 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.692 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 HD23 ' A' ' 50' ' ' LEU . 32.8 m -54.02 -7.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.496 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.2 mt -89.85 2.86 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -111.46 -36.46 5.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.52 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -78.06 -48.55 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.455 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.3 t -41.78 -33.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.77 -41.66 97.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.6 mtt-85 -78.94 -43.5 24.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.616 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.461 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 16.6 t70 -63.93 3.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 1.0 110.685 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -172.12 87.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.675 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.0 122.48 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.468 ' OD1' ' CE2' ' A' ' 10' ' ' TYR . 50.0 t-20 -156.2 -41.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' GLY . 85.2 m-85 -156.44 -80.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.0 t80 62.0 -72.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -83.12 -49.24 5.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . 43.11 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 1.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -58.02 -7.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.521 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.4 -64.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -97.88 47.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 18' ' ' GLU . 5.8 t -139.58 45.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 17' ' ' SER . 2.0 mt-10 40.3 94.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.757 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -101.51 38.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.5 42.92 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.523 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 12.6 p90 -137.82 33.92 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.91 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -32.83 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -83.19 -0.14 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.92 108.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.16 83.35 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -69.03 -31.7 70.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -139.49 6.31 2.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 74.95 37.13 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.0 4.3 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.55 -41.01 4.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.6 Cg_exo -57.77 -6.44 2.49 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.218 1.946 . . . . 1.0 112.044 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.59 -60.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.58 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.62 -33.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.05 77.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.6 tmm? -70.92 -36.08 72.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 11.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.2 t -137.99 7.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -95.26 -54.17 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -68.29 -2.79 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.558 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mt -126.05 -19.63 4.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.638 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.26 33.73 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.44 -40.56 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 1.0 110.546 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -74.36 -5.08 40.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.5 -17.38 24.21 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -137.85 -44.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 1.0 110.628 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -65.59 71.68 0.11 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' ASN . 3.8 mt -147.76 -17.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 1.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.3 p -94.59 -3.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 pp -136.53 2.34 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 52' ' ' THR . 9.0 t90 -92.6 -74.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 2.8 t -52.78 -37.41 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.481 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -48.31 -37.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.517 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -72.93 -19.58 61.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.8 mpt_? -92.52 -34.62 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.578 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.36 36.78 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 1.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -144.57 -3.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 141.78 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.607 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -139.65 6.93 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.557 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.97 -40.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.3 t80 76.82 125.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.28 42.54 82.83 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -94.05 -29.78 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 1.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -50.74 -25.45 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.91 -38.68 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.58 41.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' CYS . 97.8 p -102.94 -167.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 86.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' SER . 13.5 t -137.58 -54.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 77.0 mt-10 -137.81 4.17 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -101.47 -0.11 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 p -143.68 -36.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.74 -31.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 21.6 p-90 -101.46 -57.53 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.595 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.8 94.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HG ' ' HZ3' ' A' ' 24' ' ' TRP . 54.1 p -145.18 113.04 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.558 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.4 m -92.96 15.71 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -168.35 -34.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.36 44.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.46 18.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.689 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.617 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.41 -38.96 9.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.078 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.91 -9.03 8.84 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.197 1.932 . . . . 1.0 111.794 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.35 -58.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.7 mt -53.95 -28.57 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' VAL . 43.3 t80 -81.64 -70.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.656 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 7.6 ptm -43.0 -25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.64 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 35' ' ' TYR . 5.2 mt -68.54 -43.41 76.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.2 t -59.47 -31.06 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.2 t80 -67.13 -21.64 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 mt -108.25 -26.54 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -102.09 -3.57 27.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.461 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -67.17 -53.11 27.76 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -138.07 -36.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 1.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.87 -31.72 70.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.63 24.46 3.19 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.77 119.56 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 1.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.55 34.91 5.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.38 -34.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 1.0 110.594 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.1 p -82.08 -2.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.64 -0.14 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.662 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.9 t90 -101.96 -83.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.4 t -59.75 -13.57 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.62 -48.34 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -39.44 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.56 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -80.01 -33.79 38.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.553 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -57.77 80.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' GLY . 95.2 m-85 -156.73 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t0 43.39 20.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 63.3 t30 -140.06 28.6 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.88 -71.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.09 -65.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.581 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.11 35.57 1.08 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -93.79 -100.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 1.0 110.59 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.48 -18.33 6.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -54.91 -41.44 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -99.82 41.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -138.77 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.14 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' SER . 45.1 t -86.89 -45.26 11.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 11.5 mt-10 -138.91 52.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 48.6 m-85 -138.39 7.58 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.42 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 12.9 t -172.19 -34.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 15.4 p-10 -88.82 59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 18.6 p-90 -171.1 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 47.56 14.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.581 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.43 106.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.512 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.466 ' OG ' HD13 ' A' ' 31' ' ' ILE . 55.8 p -71.38 0.6 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.644 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.59 52.86 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.6 25.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.744 0.307 . . . . 1.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -110.03 -25.62 10.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.68 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -66.7 -40.45 31.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_exo -57.82 -29.85 87.41 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.216 1.944 . . . . 1.0 112.0 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -66.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -53.5 -32.07 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.97 -21.64 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' VAL . 35.5 ttp -81.92 -39.72 23.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.57 13.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' MET . 22.7 t -137.5 -19.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.631 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -72.26 -39.88 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.325 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 -12.78 15.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.36 67.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.91 -19.12 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.467 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.4 m -123.22 -40.77 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 t -47.62 -15.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 43' ' ' THR . . . -41.2 -93.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' LEU . 23.5 m120 -138.45 -104.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 1.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.87 23.11 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' ASN . 9.3 mt -133.16 -17.34 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 1.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -79.48 9.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 11.69 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.631 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.76 -58.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.623 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.7 t -76.72 -32.29 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.396 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.49 -29.11 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.97 31.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -139.95 -19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.561 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.74 2.46 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 1.0 110.611 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -102.26 -27.68 12.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.617 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.3 135.38 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' TYR . 8.2 p-10 -95.68 19.43 11.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 3.0 m-85 70.8 -40.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.5 t80 69.24 -150.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -41.29 -50.29 4.54 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 71.7 -42.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 1.0 110.617 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.2 m-20 -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.89 -37.12 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.552 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.43 43.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' CYS . 16.1 m -138.69 -169.77 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.557 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.8 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.8 p -85.13 87.08 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 68.47 24.05 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.669 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.89 -1.7 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 23' ' ' ASP . 8.8 t -172.84 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' HG23 ' A' ' 22' ' ' THR . 44.7 t0 -74.82 63.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 16.0 p-90 -161.92 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 24' ' ' TRP . 5.8 ptpt -39.84 132.92 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -71.88 -73.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.486 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.98 -15.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -142.87 7.72 2.18 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -101.36 -62.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.98 -0.27 36.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -73.35 -40.59 5.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.4 Cg_exo -57.65 -14.97 18.84 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.234 1.956 . . . . 1.0 112.025 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.75 -65.85 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.46 -42.36 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.98 -46.81 68.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.62 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttm -59.54 -26.47 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -85.51 -29.1 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 38' ' ' VAL . 94.4 t -91.68 7.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.502 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -96.61 -36.79 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.552 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.34 -4.61 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.44 5.47 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.18 -43.83 5.51 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -139.39 -40.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 1.0 110.616 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m -55.64 -34.8 65.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.39 -23.97 0.33 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.45 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -138.85 6.09 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.711 0.291 . . . . 1.0 110.499 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.53 7.16 81.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' LEU . 5.6 mt -100.42 -24.98 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 46' ' ' ASN . 4.8 m -70.85 11.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.514 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' LEU . 32.3 mt -115.79 -46.05 2.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.647 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 3.9 t90 -84.96 -29.4 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 55' ' ' ARG . 12.0 m -81.09 -51.21 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.75 -26.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -94.96 29.04 2.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.647 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.8 mtt85 -141.67 -20.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -70.97 40.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 1.0 110.699 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER 57.36 28.7 15.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t0 42.05 90.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.583 ' ND2' ' CD2' ' A' ' 10' ' ' TYR . 2.7 p-10 -65.88 -55.6 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 75.9 m-85 -55.57 -56.07 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 44.62 -96.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -61.87 -63.67 4.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 72.37 -45.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 1.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.0 m-20 -58.06 -4.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -80.01 1.16 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -139.09 42.04 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -100.59 101.17 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 43.46 41.79 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.42 50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 53.47 60.81 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.612 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -150.72 23.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.526 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -167.08 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -11.48 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.586 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.4 p-90 -149.68 -68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 19.1 mmtt 41.92 71.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.0 p -169.39 125.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.02 16.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.503 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 134.13 0.51 3.8 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.17 52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 1.0 110.725 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.836 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -138.68 30.72 2.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.553 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -78.57 -39.17 1.58 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.851 179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.7 Cg_endo -86.27 24.33 0.76 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.503 2.135 . . . . 1.0 111.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.25 -33.38 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.0 mt -105.58 -48.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 39.3 t80 -74.26 -6.21 46.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.427 ' C ' ' H ' ' A' ' 38' ' ' VAL . 41.5 ttm -102.22 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.69 -8.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.563 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 93.2 t -102.28 -14.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.65 -33.58 75.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.538 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.76 -4.71 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -136.81 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.6 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.29 -31.19 0.04 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.97 -46.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 1.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -41.71 -34.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.551 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.32 -78.25 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -154.58 17.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.21 36.8 3.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -101.41 4.38 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 1.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.18 -29.34 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.66 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.17 11.9 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.648 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 3.0 t90 -97.38 -80.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.7 t -51.57 -31.14 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.313 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.78 -23.05 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.99 -27.48 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.678 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -65.64 -34.21 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.52 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 41.75 31.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 8' ' ' ASP . 82.5 t80 -167.3 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 9.5 t70 41.86 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.6 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p30 -69.56 9.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CE1' ' O ' ' A' ' 8' ' ' ASP . 0.8 OUTLIER 68.91 -65.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.538 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 58.93 149.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 41.11 30.45 0.42 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.9 -19.96 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 1.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -55.58 -22.75 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -48.15 -44.15 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.35 43.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.79 132.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.81 100.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 44.2 t -98.44 -5.27 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' THR . 13.2 mt-10 -145.5 -53.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.582 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -65.65 68.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.2 t -173.51 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -10.37 59.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.629 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.3 p-90 -141.5 -52.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.61 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 39.13 49.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p 79.78 123.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -86.27 52.84 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.78 -17.52 2.4 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.41 41.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 1.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.36 -1.89 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.87 -38.81 5.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.171 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 56.0 Cg_endo -86.67 8.46 4.42 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.467 2.111 . . . . 1.0 111.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -110.4 -26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 51.4 mt -111.65 -35.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.584 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -81.72 -22.11 37.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 tpp -88.72 -56.58 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.648 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 33' ' ' ALA . 43.8 mt -57.56 -17.13 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.586 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.3 t -100.8 1.77 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -100.92 -18.34 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -102.44 -7.75 21.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.01 10.07 3.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.59 -41.0 4.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 44' ' ' THR . 15.2 t -138.51 -43.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 1.0 110.572 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.553 ' N ' HG23 ' A' ' 43' ' ' THR . 4.6 m -54.08 -17.22 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.525 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.49 93.55 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -159.07 114.96 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.26 -20.55 2.45 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -89.79 -32.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 1.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 11.8 p -75.42 24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.479 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' LEU . 2.0 mt -134.42 -44.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.488 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CZ3' ' OG1' ' A' ' 52' ' ' THR . 3.0 t90 -86.8 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.34 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.513 ' OG1' ' CZ3' ' A' ' 51' ' ' TRP . 4.5 m -45.72 -17.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.502 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' N ' ' C ' ' A' ' 51' ' ' TRP . 5.6 t -82.48 -33.96 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' TRP . 7.2 t80 -45.97 -43.41 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.53 -38.23 22.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.517 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 8' ' ' ASP . 13.2 t0 -70.88 40.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 1.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' GLY . 25.5 m-85 47.63 16.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.572 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 6' ' ' ASP . 3.3 t70 -45.87 124.77 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 19.2 t30 -149.53 22.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 68.03 -66.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.566 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 64.59 141.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.49 40.32 2.74 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.57 -22.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.09 -22.93 43.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -34.75 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -101.09 41.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' CYS . 7.5 t -102.22 -172.1 2.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -58.75 78.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.515 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 79.2 m -147.68 71.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 66.55 31.0 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 60.5 m-85 -131.0 45.51 2.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.505 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -171.39 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.595 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.21 14.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' THR . 12.0 p-90 -138.36 6.04 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.6 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 125.03 11.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.627 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.31 -62.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.501 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 77.42 -3.88 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.659 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.53 35.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 26' ' ' SER . . . -115.84 -57.52 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.782 0.325 . . . . 1.0 110.533 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.97 -6.04 21.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.652 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.08 -38.73 11.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.14 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -87.05 8.29 4.44 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.44 2.093 . . . . 1.0 111.766 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -112.67 -12.07 13.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.32 -63.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -59.91 -12.19 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.587 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.7 ttp -99.9 -45.67 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.561 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' ALA . 19.5 mt -71.77 13.41 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 93.8 t -131.69 -13.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.59 -29.37 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -5.67 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.298 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.55 73.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -19.06 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.584 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -136.25 -46.98 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 43' ' ' THR . 1.8 m -46.8 -32.32 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.02 27.31 0.72 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -141.51 75.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 1.0 110.625 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.43 -40.07 0.18 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 mm? -69.84 -174.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.587 0.232 . . . . 1.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.2 p 38.92 22.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.769 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mt -138.96 -35.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -101.02 -45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.406 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -67.48 -12.37 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.8 t -76.91 -37.78 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.722 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -74.16 19.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.6 mtp85 -130.51 -20.1 2.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 43.99 21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' GLY . 39.9 m-85 41.93 61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' OD1' ' CD1' ' A' ' 11' ' ' TYR . 23.5 t70 -59.21 134.31 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.637 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' TYR . 6.7 t-20 -154.68 -36.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.592 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' ALA . 37.8 m-85 -42.22 -26.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CD1' ' OD1' ' A' ' 8' ' ' ASP . 3.3 m-85 -37.57 -71.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -51.44 -25.17 12.47 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 41.12 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 1.0 110.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -51.76 -25.04 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -44.86 -34.34 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.68 41.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -139.01 -168.96 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -42.31 101.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 20' ' ' GLU . 8.3 t -152.68 -63.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 63.6 mm-40 -137.86 11.18 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.561 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 64.6 m-85 -98.34 14.46 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.62 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 23' ' ' ASP . 10.2 t -171.81 -37.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.509 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 22' ' ' THR . 1.4 m-20 -73.44 45.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.649 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.2 p-90 -157.17 -59.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.2 mttt 42.07 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.622 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . 68.9 m -94.66 -75.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER 71.29 -12.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -146.57 12.34 1.54 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -134.81 1.35 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.709 0.29 . . . . 1.0 110.641 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 29' ' ' ALA . 2.5 mp -125.0 -19.51 5.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -90.41 -39.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.196 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 59.6 Cg_endo -86.63 17.46 1.75 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.406 2.07 . . . . 1.0 112.155 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.19 3.1 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.514 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.8 -45.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -26.38 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.4 ttp -81.47 -36.29 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LEU . 14.1 mt -75.4 31.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.596 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 92.1 t -139.3 -26.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.0 t80 -68.75 -22.17 64.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.424 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 -1.84 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' LEU . 32.0 tp -147.09 70.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.63 -24.58 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -139.86 -29.94 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.356 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' THR . 10.5 m -64.31 -9.6 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.12 -41.6 2.82 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 48' ' ' LEU . 19.5 t-20 -104.28 -9.61 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.74 0.305 . . . . 1.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' HD11 ' A' ' 50' ' ' LEU . . . -72.91 37.09 0.74 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -98.83 -4.02 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 1.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -30.72 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -95.67 4.82 52.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 1.0 110.508 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.706 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 6.2 t90 -92.37 -70.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.471 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.15 -46.6 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.564 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.98 -41.28 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.566 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -51.46 -43.5 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.706 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 1.1 mpt_? -65.74 -29.94 70.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.559 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.88 40.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 1.0 110.73 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -160.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.553 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.36 104.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.573 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.41 23.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 67.8 -66.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.552 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.2 t80 67.22 131.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 48.4 5.09 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.81 -23.85 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.586 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -55.13 -32.42 62.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.622 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.56 -44.47 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -95.64 42.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' CYS . 8.8 t -140.38 -165.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -41.63 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.9 t -148.56 86.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 40.4 mm-40 60.19 8.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 67.4 m-85 -101.49 41.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.51 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 175.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.591 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -11.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 17.1 p-90 -150.52 -48.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.74 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER 41.21 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.598 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 8.0 m -166.33 119.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.625 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.825 ' H ' HD13 ' A' ' 31' ' ' ILE . 26.3 t -75.56 2.46 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.88 38.21 0.13 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.61 15.73 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 1.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.82 1.7 37.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.601 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.825 HD13 ' H ' ' A' ' 27' ' ' SER . 1.1 mp -74.78 -40.19 3.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.3 Cg_exo -57.95 -34.79 98.79 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.19 1.927 . . . . 1.0 112.04 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.92 -64.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.78 -32.71 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 24.2 t80 -77.67 -26.17 50.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.485 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.4 ttm -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -75.19 24.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 38' ' ' VAL . 52.1 t -143.5 21.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.388 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -108.73 -40.7 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.213 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.59 -2.49 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.326 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.05 -23.49 3.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.62 -25.98 70.64 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -61.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 1.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -48.53 -27.76 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.442 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.44 75.19 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 41.94 89.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 1.0 110.511 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.07 -31.04 2.59 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -59.75 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 1.0 110.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.52 -17.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.95 -4.63 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -92.37 -55.88 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.542 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.36 -47.51 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.596 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.63 -28.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -54.87 -36.65 65.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -94.31 -37.3 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 t70 48.31 12.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 1.0 110.797 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 2.9 p90 177.29 17.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -154.06 35.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.481 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 6.4 m-85 64.91 -69.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.609 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.7 t80 76.09 101.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.43 -54.98 1.58 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 46.84 41.96 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 45.4 22.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.1 t30 -95.39 -28.21 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -137.66 42.45 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.4 t -142.61 -165.97 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -53.06 88.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' SER . 41.0 t -90.1 -58.25 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.88 3.31 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -86.12 56.19 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.9 p -147.41 -36.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -71.25 -65.52 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 11.8 p-90 -72.58 49.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.706 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 0.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.528 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 24' ' ' TRP . 8.6 m -168.8 113.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -3.73 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 131.45 33.41 0.45 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.54 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 1.0 110.438 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.38 17.11 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -77.6 -33.81 1.08 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.777 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.4 Cg_exo -59.3 2.34 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.03 1.82 . . . . 1.0 112.16 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.98 -48.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.678 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.19 -71.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -48.64 -31.29 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -68.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.71 47.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.96 -30.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 2.2 t80 -86.2 -33.74 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.86 8.55 11.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.49 9.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.9 -31.39 5.41 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 44' ' ' THR . 9.3 t -139.76 -46.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 1.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.578 ' N ' HG23 ' A' ' 43' ' ' THR . 2.3 m -56.68 -36.94 70.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.1 -40.57 7.34 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.21 104.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 1.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 50' ' ' LEU . . . 160.94 42.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.97 -27.01 6.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.852 0.358 . . . . 1.0 110.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -77.48 13.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.523 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -142.31 6.3 1.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.705 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.85 -60.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.461 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 53' ' ' VAL . 9.0 t -66.42 -45.62 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 52' ' ' THR . 24.0 t -47.09 -20.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.57 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -72.12 -66.45 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.708 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -48.04 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -4.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 9' ' ' ASN . 34.9 t80 -60.4 -38.95 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -74.61 25.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 7' ' ' PHE . 15.3 p-10 -60.19 -23.87 64.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -141.14 -59.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 t80 62.83 137.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.76 31.25 57.83 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -83.46 -40.96 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 1.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -57.74 -5.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' ALA . 2.8 m120 -55.94 -39.58 71.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.03 42.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -156.02 -166.14 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.88 88.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' SER . 42.0 t -101.09 -47.99 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -143.24 54.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.554 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -142.85 19.35 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -174.13 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -16.25 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 9.0 p-90 -99.95 26.27 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.11 146.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -101.15 90.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.487 ' OG ' HD13 ' A' ' 31' ' ' ILE . 99.2 p -54.72 -12.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.518 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.35 62.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.27 39.65 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 1.0 110.557 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.55 -24.25 3.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mp -67.29 -40.09 24.99 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.86 -38.14 93.67 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.248 1.966 . . . . 1.0 111.966 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.9 mt -54.98 -38.42 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.522 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 3.9 t80 -70.73 -34.24 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.51 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.1 mmm -65.22 -54.03 35.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.16 -18.84 65.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.5 t -102.05 -10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 t80 -68.5 -33.62 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.487 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 -4.58 26.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.508 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.23 58.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.67 -30.64 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -128.38 -47.06 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.853 0.359 . . . . 1.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -41.73 -29.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.51 -74.1 0.37 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 t30 40.47 91.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 1.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 145.53 -25.41 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -108.58 0.25 20.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.799 0.333 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m -101.57 29.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -161.77 -33.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -86.32 -76.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.805 -179.698 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.2 t -53.81 -11.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.688 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.1 t -90.8 -21.0 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -59.54 -25.0 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.698 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -19.18 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.628 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.614 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -5.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 1.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -54.83 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.602 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.61 132.25 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -99.78 -36.3 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.48 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -90.13 -79.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.594 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.75 150.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.565 ' O ' ' ND2' ' A' ' 15' ' ' ASN . . . 41.22 32.94 0.72 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.68 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.02 -10.25 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 12' ' ' GLY . 72.0 m-20 -61.08 -33.98 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.4 41.43 1.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.51 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' CYS . 36.3 m -101.82 -170.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.494 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.56 80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -148.11 -37.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.22 24.79 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 78.6 m-85 -140.45 28.63 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -164.96 -35.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.53 -76.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.7 p-90 -41.93 -49.17 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 39.13 -90.65 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.986 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.565 ' OG ' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -97.67 -70.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.53 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.72 -16.43 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.657 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.51 4.4 3.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -125.71 -24.09 3.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.637 0.256 . . . . 1.0 110.745 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 29' ' ' ALA . 4.3 mm? -114.64 -26.36 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.316 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -75.28 -33.87 1.51 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.699 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.3 Cg_exo -60.07 3.45 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.019 1.813 . . . . 1.0 112.194 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -135.3 -70.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.721 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mt -41.26 -21.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' ALA . 82.7 t80 -83.74 -38.63 21.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 tpp -63.26 -44.9 93.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.38 -28.41 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.3 t -100.49 -6.6 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' TYR . 86.2 t80 -67.86 -34.26 76.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -5.56 24.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.14 68.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -27.16 0.08 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 t -137.93 -21.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' THR . 8.6 m -75.73 -11.46 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.94 -15.23 58.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.84 6.73 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 1.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -91.39 7.08 80.64 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 50' ' ' LEU . 70.6 mt -100.43 -36.6 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -53.41 -8.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.53 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.4 mt -102.85 -51.98 3.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' A' ' 53' ' ' VAL . 1.2 t90 -80.71 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 52' ' ' THR . 20.6 m -51.21 -10.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.493 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 51' ' ' TRP . 5.3 t -100.18 -29.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.9 -11.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -102.05 -18.93 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.495 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -4.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 1.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.1 m-85 -55.84 -73.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -42.46 126.52 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -153.43 -38.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -89.78 -65.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.531 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 72.8 t80 51.27 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -63.41 -55.78 23.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 50.74 -173.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 1.0 110.508 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -50.67 -31.05 15.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -53.95 -35.68 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.87 53.55 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' GLU . 16.8 t -155.72 115.24 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 10.0 pt-20 33.1 48.9 0.16 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.447 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 1.7 t -72.56 -77.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.533 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 66.8 mt-10 -142.93 21.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' CA ' ' HE1' ' A' ' 24' ' ' TRP . 80.8 m-85 -107.62 -16.58 14.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.0 p -133.72 -32.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.714 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.6 -20.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.783 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HE1' ' CA ' ' A' ' 21' ' ' TYR . 1.3 p-90 -103.76 -96.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 31.3 mttm 55.73 18.86 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.628 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 1.3 m 163.04 136.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.601 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.8 p -79.17 55.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.612 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.25 -17.25 2.51 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.131 -0.787 . . . . 1.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.5 23.93 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 1.0 110.667 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -107.1 -10.72 15.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.672 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -75.35 -38.9 2.92 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.182 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.7 -12.57 22.08 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 111.762 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -52.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.503 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.2 mt -63.07 -52.08 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -52.88 -28.29 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.58 -64.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.586 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -72.25 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 18.3 t -137.33 -21.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -38.67 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.504 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.55 2.74 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.72 -34.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.01 -43.08 16.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 44' ' ' THR . 8.3 t -148.68 -47.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 1.0 110.606 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.589 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -57.03 -10.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -59.59 -27.6 63.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 16.6 m-80 -156.9 -64.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.594 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 126.35 9.12 4.66 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? 45.03 16.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 1.0 110.571 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' GLY . 1.8 p -112.63 -27.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.17 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -105.09 -0.77 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.608 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 14.4 t90 -80.92 -85.95 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.519 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.43 -47.6 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -47.1 -53.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -33.11 54.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.522 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 14.7 mtt-85 -82.73 -32.25 28.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.558 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.536 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 2.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.322 . . . . 1.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 t80 -102.56 -21.53 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.551 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.43 123.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.599 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -138.85 -37.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 80.5 m-85 -42.39 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 86.9 t80 52.45 -90.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -44.69 -54.08 6.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 43.13 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 1.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.42 -20.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -70.76 0.69 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -138.15 42.13 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -138.71 142.19 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 44.54 45.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.609 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -138.25 -43.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.63 8.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' HG22 ' A' ' 22' ' ' THR . 6.8 m-85 -97.4 70.29 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -173.4 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.63 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.04 9.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.592 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.5 p-90 -141.87 -44.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 11.1 mmtp 52.31 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.645 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 57.7 p -101.54 -69.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 1.3 m 51.77 17.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.25 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -131.52 -42.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.691 0.281 . . . . 1.0 110.712 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -103.41 -17.6 15.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -62.71 -40.27 62.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.781 -0.367 . . . . 1.0 111.026 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 3.9 Cg_exo -70.86 29.28 0.21 Allowed 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.297 1.998 . . . . 1.0 111.892 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -141.7 -45.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.788 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.93 -19.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -90.1 -30.29 17.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.412 179.728 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.492 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 1.1 ppp? -86.4 -23.87 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.481 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.93 -24.93 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -78.82 -8.83 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.31 -41.95 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 0.17 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.611 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.61 31.17 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.51 2.77 3.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.8 m -166.39 -50.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 1.0 110.357 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -56.89 -4.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.363 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -38.8 -75.66 0.09 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.92 130.47 0.4 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.802 0.334 . . . . 1.0 110.727 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 -39.13 3.0 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.838 0.351 . . . . 1.0 110.423 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.36 8.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.583 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -127.39 -0.01 6.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -97.44 -72.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.66 -46.97 58.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.556 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 53' ' ' VAL . 95.1 t -56.21 -6.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 52' ' ' THR . 11.8 t80 -100.36 7.69 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -166.64 81.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.564 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.538 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER 44.31 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.535 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.28 -7.94 0.12 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.064 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -50.42 139.23 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 1.0 110.621 179.795 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' TYR . 3.2 t30 -143.22 9.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 m-85 70.83 -40.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 61.94 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.528 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -68.37 -63.17 3.7 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.34 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.632 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -51.1 -20.13 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.0 -39.09 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -99.19 41.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' GLU . 2.4 t -141.42 125.6 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.8 pt-20 33.11 48.08 0.14 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.377 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 51.53 69.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 3.1 p90 -141.0 7.55 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.9 t -156.48 -37.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 22' ' ' THR . 1.2 t70 -64.57 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 7.3 p-90 -93.04 8.77 38.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.534 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.08 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 93.44 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -52.12 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.53 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -99.82 -15.91 30.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.18 48.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.342 . . . . 1.0 110.713 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.5 19.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.774 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.8 mp -74.02 -34.36 2.02 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.491 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.8 Cg_endo -87.14 9.51 3.91 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 122.306 2.004 . . . . 1.0 112.02 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.85 -58.18 2.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 73.4 mt -74.49 -43.6 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -69.78 -18.45 63.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 36.7 ttm -92.88 -59.42 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.614 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 5.1 t -138.52 -36.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.524 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -67.75 -19.15 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.03 16.83 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.494 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.67 50.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.626 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 -26.76 0.08 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -123.91 -47.35 1.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -42.6 -30.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.51 -88.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -159.14 97.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 1.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.47 66.74 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.44 -29.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 1.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.46 17.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -147.14 11.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.607 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.42 -65.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.556 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.6 t -75.68 -34.42 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.24 -31.53 53.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -12.31 59.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.528 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 19.2 mtp180 -94.99 13.51 24.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.593 179.999 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.21 4.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 1.0 110.646 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -77.67 -75.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.524 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.71 111.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' TYR . 16.7 p-10 -101.81 10.74 39.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' TYR . 4.3 m-85 67.94 -66.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t80 56.06 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 40.82 26.62 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -63.47 -27.46 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.825 0.345 . . . . 1.0 110.594 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.15 -7.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t-20 -66.21 -39.29 89.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.508 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -100.15 41.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' CYS . 5.7 t -92.42 -162.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.29 40.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.659 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.2 p -70.36 -59.43 2.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.524 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.0 mm-40 -127.98 -27.7 2.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.624 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -72.7 54.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.89 -48.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -62.98 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -59.59 -19.78 51.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -41.72 126.68 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 3.3 m -73.34 -73.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.18 -17.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.523 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -135.51 2.31 3.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 26' ' ' SER . . . -129.18 -6.4 4.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.655 0.264 . . . . 1.0 110.638 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.6 mm? -111.05 -11.57 14.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -38.93 0.42 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.407 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.9 Cg_endo -82.38 28.12 0.58 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.228 1.952 . . . . 1.0 111.895 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.98 -51.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.276 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.16 -58.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.39 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -49.89 -23.8 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.4 179.913 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.484 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 7.6 ttm -89.51 -44.94 9.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.488 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.22 -16.44 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.445 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.0 t -102.23 -7.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 43' ' ' THR . 83.9 t80 -65.96 -28.71 69.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.4 -5.39 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.486 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -135.16 76.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.87 -14.18 0.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 44' ' ' THR . 7.8 t -135.29 -48.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.571 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.597 ' N ' HG23 ' A' ' 43' ' ' THR . 1.6 m -54.76 -28.48 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.38 50.91 0.08 OUTLIER Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -40.16 -63.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' C ' HD22 ' A' ' 48' ' ' LEU . . . -146.0 36.89 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' C ' ' A' ' 47' ' ' GLY . 4.1 mm? -103.93 -13.09 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 1.0 110.573 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.1 m -97.53 16.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.896 -179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -143.13 7.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.611 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 52' ' ' THR . 6.4 t90 -103.72 -80.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.522 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -65.29 -35.01 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.556 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.37 -21.28 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -78.99 -13.56 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 27.1 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.326 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -55.91 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 1.0 110.59 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 9' ' ' ASN . 10.2 m-85 62.66 -71.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' ASP . 2.5 m-20 -57.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' PHE . 7.3 p30 -86.28 -1.02 57.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.1 m-85 64.63 -69.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 62.08 -71.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -57.01 -62.61 6.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.35 -91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.03 -45.19 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.598 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -52.19 -37.97 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.9 41.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 19' ' ' CYS . 50.1 m -139.19 140.2 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -54.4 83.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.5 p -77.49 60.28 2.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.6 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 41.77 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -144.72 22.77 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.606 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -166.43 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.12 -34.63 73.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.534 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.9 p-90 -97.07 -45.33 6.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.682 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.05 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.018 179.882 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 m 66.36 92.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -43.84 -62.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -136.69 9.19 3.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.22 55.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 1.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.833 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.2 pt? -144.74 29.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.74 -38.79 1.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.872 179.724 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 55.2 Cg_endo -86.59 10.65 3.54 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.427 2.085 . . . . 1.0 112.011 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.75 -27.87 7.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.39 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.0 mt -105.83 -49.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.1 -23.14 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 74.1 mtp -92.04 -51.9 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.72 33.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 34' ' ' ILE . 25.6 t -137.22 -16.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -104.16 -58.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -86.51 10.21 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.619 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 41' ' ' LEU . 38.4 tp -140.0 -37.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.74 7.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.58 HG23 ' N ' ' A' ' 44' ' ' THR . 9.7 t -148.66 -46.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 1.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.58 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -58.09 -12.96 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.02 -19.74 3.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 15.7 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 1.0 110.612 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.43 14.05 58.81 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -92.51 -1.99 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 1.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -103.15 -4.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.626 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.25 12.05 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.646 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' THR . 18.6 t90 -99.66 -84.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 10.0 t -60.54 -31.13 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.16 -39.63 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.72 29.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -137.83 -33.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -4.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 1.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -60.34 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.655 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.66 119.47 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -158.94 -44.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.587 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . 53.9 m-85 -87.13 -35.82 18.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.06 -66.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.538 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -91.39 65.0 2.52 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.2 -36.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.05 -21.88 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -53.13 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -94.37 43.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -143.55 -162.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.566 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -137.91 33.29 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.472 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 -36.2 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 61.2 m-85 -82.68 -49.81 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.7 p -46.99 -33.4 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.03 -22.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.0 p-90 -140.51 -74.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 3.5 mtmt 40.23 94.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 1.0 110.781 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 82.5 5.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.559 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -43.39 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.657 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -108.54 -3.44 32.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.18 49.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.954 0.407 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.84 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -140.61 27.0 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.172 179.404 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -74.73 -34.6 1.83 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.666 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.6 Cg_endo -83.41 27.78 0.6 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 122.017 1.811 . . . . 1.0 111.83 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.39 -67.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.163 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.777 ' N ' HD13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -67.07 -48.36 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.011 179.696 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.39 -20.7 64.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 23.0 ttm -88.45 -60.26 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.31 40.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.625 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.8 t -141.8 -24.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -89.2 -38.14 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.33 -1.7 28.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.639 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -142.38 15.33 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.67 13.37 2.21 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -158.57 -42.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 1.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -75.4 -25.23 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -36.48 7.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.95 4.65 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 1.0 110.605 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.24 24.49 2.07 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 46' ' ' ASN . 35.0 mt -101.99 -4.78 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 1.0 110.519 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 92.9 t -95.02 -3.26 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pp -130.5 -30.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.497 ' HE1' ' HE ' ' A' ' 55' ' ' ARG . 15.5 t90 -59.79 -72.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -48.86 -48.51 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.529 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 53' ' ' VAL . 5.6 t -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.66 -27.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 15.6 mtt-85 -92.7 -59.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.496 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 179.97 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -4.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 1.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 p90 -165.45 30.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.05 138.05 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.547 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 43.2 t-20 -95.59 27.02 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.26 -66.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.592 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.1 t80 71.46 -64.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.64 64.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -41.69 -28.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 1.0 110.579 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.13 -17.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.54 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.4 t30 -71.82 -54.08 11.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -98.07 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.567 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 19' ' ' CYS . 72.9 m -147.3 174.23 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 1.8 pt-20 -53.8 84.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 t -97.31 -40.27 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -146.22 55.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -137.89 12.87 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.532 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -149.32 -48.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.86 17.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.603 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 3.2 p-90 -143.17 20.99 1.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.63 116.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -102.2 91.36 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.09 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -50.75 -27.53 13.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 1.0 110.679 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 17.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.799 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.99 -37.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.297 179.8 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_endo -84.9 5.16 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.23 -28.27 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.45 -56.74 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.14 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.01 -15.4 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 38.1 ttm -91.75 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.6 t -137.39 -39.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -73.82 -16.01 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.2 2.27 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.559 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -145.48 32.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.93 24.95 0.11 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -174.16 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 1.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -84.4 -25.82 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.09 -27.37 0.41 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.54 18.01 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.03 30.97 8.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -93.9 2.88 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 1.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -100.11 -37.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -96.94 -0.18 47.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.67 -179.847 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -51.93 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 1.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -69.98 -38.16 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.505 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.35 -19.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CD2' ' N ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -68.92 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.564 -179.916 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.596 ' N ' ' CD2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -59.74 -2.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.152 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.79 -3.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.0 110.631 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -137.7 10.45 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.531 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 18.0 p30 -50.67 87.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.564 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 57.1 t30 -155.94 31.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 98.4 m-85 54.4 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.1 t80 73.59 143.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 32.07 2.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -50.5 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 1.0 110.531 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -25.78 7.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -34.98 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -101.3 41.73 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 41.8 t -156.16 -168.17 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' OG ' ' A' ' 17' ' ' SER . 1.4 pt-20 -42.21 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' SER . 39.1 t -138.0 54.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.4 34.28 23.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.548 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -138.43 11.2 2.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.541 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 9.0 t -158.15 -36.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.619 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -55.13 -6.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 22.1 p-90 -139.4 37.62 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.9 tpmt? -70.02 94.49 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.555 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p 80.12 131.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.4 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.7 m -72.67 17.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 139.92 -4.1 2.63 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.85 27.05 0.23 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.709 0.29 . . . . 1.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.29 -3.05 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -69.69 -35.39 5.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.442 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -65.37 -19.26 61.59 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.901 1.734 . . . . 1.0 112.152 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -105.0 -71.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.99 -179.638 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -40.85 -28.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.64 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 38.4 t80 -85.57 -73.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.767 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 36' ' ' MET . 3.6 ppp? -41.88 -24.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.745 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' TYR . 5.6 mt -72.62 -49.97 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.3 t -57.89 -27.4 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.99 -52.96 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.582 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.96 -6.13 15.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.91 26.11 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -140.08 5.73 2.77 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -165.02 -36.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 1.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 m -73.48 -25.77 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.26 -59.94 2.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 8.5 p-10 -105.39 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 1.0 110.619 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.32 -36.0 0.1 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.9 pp -100.99 -20.23 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 1.0 110.734 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.94 -10.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.7 mp -88.84 7.14 35.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.747 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -114.74 -34.49 5.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.482 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -81.28 -41.77 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.547 179.862 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.84 -18.59 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -87.87 -7.58 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.512 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.74 -32.07 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.616 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.588 -179.973 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -44.72 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 1.0 110.552 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 21.8 p90 -138.21 118.05 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.616 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -164.48 -174.91 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.56 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.2 t30 48.12 12.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.733 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 74.3 m-85 -158.27 -39.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 53.4 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -65.64 -68.96 1.47 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 66.68 36.83 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 1.0 110.571 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER 44.56 18.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.498 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ALA . 9.7 t30 -84.15 -44.4 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -101.14 42.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -138.76 125.73 21.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 41.69 48.26 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 t -98.01 51.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 48.81 40.03 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.63 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 8.9 p90 -105.43 18.76 21.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.56 -39.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -64.85 -67.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.7 p-90 -45.87 -39.43 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.71 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 40.21 -129.03 0.38 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.463 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 6.5 m -166.88 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.3 m -59.45 -4.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.264 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 132.12 33.76 0.4 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.71 24.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 1.0 110.44 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 4.3 mm? -102.14 18.0 21.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -79.49 -33.63 0.84 Allowed Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.751 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 64.0 Cg_endo -87.58 23.46 0.8 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 122.333 2.022 . . . . 1.0 112.176 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.48 -35.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.7 mt -91.05 -57.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.98 -15.24 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 48.7 mtp -88.76 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.86 38.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.534 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.1 t -137.88 -18.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -103.82 -54.38 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.54 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.36 12.57 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -146.45 -38.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.96 -34.07 2.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 44' ' ' THR . 8.2 t -139.54 -36.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.0 110.461 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 44' ' ' THR . 7.7 m -72.68 -10.59 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.409 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.72 16.5 8.11 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.03 121.47 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 1.0 110.616 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 106.29 -44.75 1.41 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.857 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -107.88 45.26 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.787 0.327 . . . . 1.0 110.323 179.919 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.91 6.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.3 mp -130.34 -3.04 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -34.06 7.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.532 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 t -93.42 -14.82 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.594 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.0 t -92.31 -16.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.4 m-85 -86.24 -7.77 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 -46.07 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.5 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.79 2.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 1.0 110.582 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' GLY . 8.8 t80 -102.32 -58.42 1.88 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.59 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.09 131.65 48.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 t-20 -138.16 -44.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 77.1 m-85 -157.28 -43.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 67.16 126.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.89 33.4 56.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.56 -35.9 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.68 -15.78 2.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.62 42.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.1 173.92 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -45.64 105.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.69 -39.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.579 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -149.22 38.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.573 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -139.17 13.91 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -172.17 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.56 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 27.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 7.8 p-90 -159.82 30.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -48.34 -59.39 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 83.9 p -160.13 -76.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.513 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 74.24 29.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.825 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' H ' HG13 ' A' ' 31' ' ' ILE . . . 126.06 14.71 2.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -94.06 -64.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' A' ' 34' ' ' ILE . 2.0 pp -100.54 -2.47 32.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.884 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.15 -38.27 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.159 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.2 Cg_endo -87.28 22.46 0.92 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.454 2.103 . . . . 1.0 111.785 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -130.23 -32.52 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.468 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.3 mt -101.62 -35.15 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.02 -32.73 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.9 tpp -76.9 -48.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 33' ' ' ALA . 37.7 mt -74.68 20.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' GLY . 63.2 t -138.95 -25.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.11 -44.74 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.4 8.21 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mt -137.38 4.02 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -84.53 -35.14 14.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -149.47 -32.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.819 HG23 HD12 ' A' ' 48' ' ' LEU . 1.9 m -66.88 -46.82 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.03 -12.29 1.77 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.37 92.48 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 -179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.07 -35.06 1.09 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 44' ' ' THR . 23.6 mt -100.06 8.77 43.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 1.0 110.585 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.6 -22.78 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -99.48 -14.3 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.736 ' HE1' HH21 ' A' ' 55' ' ' ARG . 0.9 OUTLIER -84.81 -71.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.591 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.9 t -47.96 -21.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.606 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 55' ' ' ARG . 5.5 t -83.95 -27.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' TRP . 18.2 t80 -69.93 9.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.123 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.736 HH21 ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -103.46 -46.56 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.811 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' PHE . 3.1 t0 41.99 21.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 60.67 124.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.59 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.82 97.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.538 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 11' ' ' TYR . 11.3 t-20 -127.88 -19.31 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 68.66 -39.39 0.41 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.683 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 9' ' ' ASN . 3.8 t80 53.27 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 1.0 110.686 179.716 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 40.48 29.49 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -71.25 -155.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.531 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 46.44 15.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.497 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 13' ' ' ALA . 17.1 t-20 -95.69 -35.46 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.387 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -107.01 39.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.51 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 m -140.45 165.76 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 3.1 pt-20 -54.3 108.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 29.9 t -93.67 -59.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 62.2 mt-10 -149.73 35.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -103.7 5.0 35.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.11 -46.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 19' ' ' CYS . 3.1 p-10 -75.37 28.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.5 p-90 -133.8 7.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.51 111.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.498 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.454 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 1.7 m -101.73 90.9 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -76.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.578 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.03 -10.82 84.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.32 41.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.779 0.323 . . . . 1.0 110.812 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.4 16.92 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.881 179.657 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -71.12 -36.9 5.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.024 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.3 Cg_exo -61.2 -17.56 53.26 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.053 1.835 . . . . 1.0 111.757 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -87.17 -80.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.651 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -33.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.692 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -73.83 -38.4 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 13.0 ttm -62.83 -35.51 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.21 19.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 46.1 t -138.99 -13.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -79.36 -58.41 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.6 7.64 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -135.08 4.2 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.598 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.02 -39.7 8.43 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 44' ' ' THR . 6.2 t -146.58 -39.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.742 0.306 . . . . 1.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.4 m -59.0 -26.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.552 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 41.45 2.34 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -35.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.722 -179.819 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . -135.11 -143.11 4.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 50' ' ' LEU . 60.2 mt 61.28 -67.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.526 0.203 . . . . 1.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.3 p -71.23 29.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.274 . . . . 1.0 111.042 -179.605 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.8 pp -174.76 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.3 t90 -86.49 -80.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.582 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -54.53 -11.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 1.0 110.694 -179.702 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.73 -33.11 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 56.9 t80 -68.91 -6.05 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.585 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -93.57 -33.01 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.483 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 mttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.526 -179.975 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -59.39 77.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.693 0.282 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -167.21 -41.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.548 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.444 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 6.4 t0 -55.35 119.07 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' TYR . 29.4 t-20 -139.62 6.24 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m-85 55.41 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 t80 78.62 -65.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.46 36.6 0.98 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -78.36 -151.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 1.0 110.529 -179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.82 -9.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.626 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.96 -5.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 14' ' ' ASP . 25.7 mt-30 -136.62 43.23 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -149.16 133.9 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.6 pt-20 33.11 40.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.305 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -67.3 -61.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -141.4 70.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -148.45 16.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.17 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -40.62 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.618 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.427 ' CD2' ' C ' ' A' ' 24' ' ' TRP . 9.2 p-90 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.559 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 18.8 ttmt -40.38 116.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.4 m -75.51 -79.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.533 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.6 p 78.39 -14.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.627 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.75 15.38 0.62 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -101.52 -68.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 1.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.17 4.16 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -65.16 -40.97 49.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.72 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.3 Cg_exo -59.73 -47.34 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.289 1.993 . . . . 1.0 112.059 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -49.33 -33.0 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.46 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.7 mp -93.82 -33.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -78.61 -59.81 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.362 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' PRO . 41.9 ttm -49.31 -51.68 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.479 179.726 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 33' ' ' ALA . 45.3 mt -71.13 15.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.825 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 38.8 t -136.47 -14.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.475 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 48.8 t80 -69.57 -15.8 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.21 -6.29 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.96 76.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -18.69 0.36 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 44' ' ' THR . 13.1 t -137.29 -44.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG23 ' A' ' 43' ' ' THR . 5.1 m -52.82 -9.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.27 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 113.38 0.83 24.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.4 t30 40.37 62.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.71 41.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 HG22 ' A' ' 44' ' ' THR . 6.4 mt -137.95 -47.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.96 -16.94 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.619 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.9 pp -109.56 1.6 19.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' ' 52' ' ' THR . 24.7 t90 -87.51 -100.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -40.46 -33.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.476 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.11 -51.61 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.9 m-85 -53.94 -20.51 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.294 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 tptp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.529 -179.958 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 1.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 17.9 p90 -139.91 -22.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.08 106.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 7' ' ' PHE . 3.8 m-20 -100.59 -50.13 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.714 ' CB ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 m-85 -137.94 -33.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 t80 64.52 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.83 -28.79 3.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.714 ' HB3' ' CB ' ' A' ' 10' ' ' TYR . . . -86.36 -18.74 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.616 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.26 -14.09 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.96 -36.35 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -101.33 42.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.52 153.35 23.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 45.25 40.49 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 1.3 m -128.5 79.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.222 179.833 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.0 mm-40 57.07 15.13 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 61.9 m-85 -105.78 94.25 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.196 179.686 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.649 ' H ' ' HE1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 69.82 -12.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.475 -179.76 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 21' ' ' TYR . 1.2 p30 -85.23 27.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.553 179.789 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE1' ' H ' ' A' ' 22' ' ' THR . 4.8 p-90 -142.66 -67.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 25.4 mmtt 52.19 10.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.7 p 174.34 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.34 -2.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -166.4 23.52 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.54 -27.65 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.63 3.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.3 mm -75.43 -35.73 1.92 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.27 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.9 Cg_exo -61.33 -3.99 3.71 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.079 1.852 . . . . 1.0 111.925 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.72 -77.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.698 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -64.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.683 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -51.98 -45.06 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.629 -179.932 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.597 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 14.5 ttp -61.8 -34.95 76.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.54 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LEU . 11.3 mt -74.78 38.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.534 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 43' ' ' THR . 57.9 t -136.74 -36.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.562 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 5.1 t80 -63.2 -22.05 66.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.53 5.16 3.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.217 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 37' ' ' LEU . 5.8 tp -152.6 69.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.51 -23.02 0.11 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.564 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -130.86 -44.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 1.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.564 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 t -52.41 -10.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.075 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 112.63 50.83 0.55 Allowed Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.84 81.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 149.67 -14.94 1.06 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -90.85 -22.89 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.495 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.58 20.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.532 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mp -132.31 -1.69 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.91 -59.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.557 -179.949 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -78.29 -34.12 49.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.604 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.84 -18.68 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.82 -14.66 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -95.49 -22.46 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mttm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.58 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 1.0 110.592 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 90.0 m-85 -150.45 -117.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' PHE . 12.1 t70 41.81 92.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.7 t30 -132.1 -4.17 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 66.52 -35.94 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.169 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.0 t80 73.89 -145.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 1.0 110.49 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -40.25 -29.88 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.56 -71.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 1.0 110.645 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -47.52 -30.06 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.512 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.46 -38.3 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -100.74 41.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.0 m -87.14 91.34 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' SER . 17.4 pt-20 33.22 42.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.362 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -83.86 -53.99 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 2.4 pt-20 -174.76 27.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 36.2 m-85 -102.54 31.7 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -172.34 -32.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.9 26.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 7.3 p-90 -138.72 -59.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 6.1 mtmt 40.8 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.611 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.13 116.1 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -73.73 56.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 97.45 10.65 53.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.69 17.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.6 mp -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.7 mp -67.9 -59.83 6.08 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.285 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 10.0 Cg_endo -51.43 -13.95 1.58 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.816 1.677 . . . . 1.0 112.098 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -94.86 -75.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.0 mt -47.42 -33.8 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -72.54 -27.06 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.468 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.0 ttp -77.53 -44.35 28.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.48 16.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.6 t -136.95 -22.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.3 t80 -68.45 -39.07 81.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.52 3.01 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -137.7 21.03 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.599 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.46 8.58 3.44 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -163.0 -42.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 44' ' ' THR . 12.8 m -71.79 -16.5 62.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.44 -58.09 5.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 41.86 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.98 -16.43 0.61 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -91.17 6.25 45.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 1.0 110.663 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 49' ' ' VAL . 41.8 t -103.35 -9.89 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.831 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -132.38 14.5 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.493 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.8 t90 -100.7 -70.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.537 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 8.7 t -71.08 -32.41 69.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.525 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.2 t -64.04 -39.31 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.68 22.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.2 mtp180 -137.25 -26.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.88 -4.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 1.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -60.2 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -56.35 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -145.54 -40.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.22 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.602 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 83.8 t80 54.68 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.88 59.77 1.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.37 81.38 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 1.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 t0 45.43 17.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.527 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 6.2 m-80 -101.56 -52.77 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 11' ' ' TYR . 2.7 mt-30 -103.66 40.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.87 82.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 46.73 43.71 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -40.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.451 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -150.83 20.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 25' ' ' LYS . 4.7 p90 -83.06 -0.36 48.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.585 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' TRP . 13.9 p -101.98 -30.93 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.51 179.79 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -41.94 -21.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p-90 -150.14 109.99 4.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.442 179.838 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 21' ' ' TYR . 8.8 mmtp -114.48 6.86 16.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -172.6 126.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -19.22 15.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.73 15.36 1.99 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.77 28.59 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.9 pp -135.41 -34.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 33' ' ' ALA . 6.2 mt -47.96 -59.7 5.41 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.335 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 7.6 Cg_endo -50.27 -7.85 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.804 1.669 . . . . 1.0 112.089 179.843 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' LEU . . . -95.39 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -19.64 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.78 -38.74 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 19.5 ttm -63.03 -41.59 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.503 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.37 38.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' MET . 21.5 t -137.93 -34.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -2.98 40.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.63 31.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.53 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -163.88 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 -30.12 11.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 44' ' ' THR . 14.6 t -99.58 -43.19 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 1.0 110.597 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG23 ' A' ' 43' ' ' THR . 2.2 t -79.68 -28.76 40.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.536 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -80.22 -48.1 6.62 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -158.84 95.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 1.0 110.555 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.13 31.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 -4.55 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 1.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 49' ' ' VAL . 86.5 t -97.87 -2.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 2.0 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.4 t90 -102.06 -53.49 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.531 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -81.12 -42.26 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.46 179.877 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.59 -27.44 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -57.9 -67.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -58.05 -28.44 64.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.84 -25.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 1.0 110.633 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 36.4 p90 -167.03 -53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.565 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 9.8 t70 42.9 94.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.5 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' TYR . 68.8 m-85 -92.64 -55.58 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 12.3 t80 55.77 161.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.613 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 41.18 30.75 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -74.98 -162.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 1.0 110.588 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -5.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.72 -36.85 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.493 -179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.05 41.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -151.01 -172.03 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 3.0 mp0 -57.23 97.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -102.79 92.02 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.557 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 12.1 mt-10 52.79 24.72 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 35.5 m-85 -97.23 -7.61 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 24' ' ' TRP . 8.4 t -173.24 -32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.589 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.39 35.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.5 p-90 -149.95 -53.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.562 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 29.8 mmtt 42.9 -99.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 88.3 p -165.69 -72.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.53 18.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.788 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.07 2.92 2.94 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -71.85 -43.88 64.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.018 -0.273 . . . . 1.0 110.897 -179.738 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -130.11 4.91 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.353 179.692 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.6 mt -69.63 -35.79 6.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.801 179.345 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.2 Cg_exo -65.2 -13.52 40.22 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.882 1.721 . . . . 1.0 111.551 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.51 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -58.22 -68.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.668 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -41.43 -31.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.68 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.532 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 6.0 ttp -80.74 -43.44 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -5.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.1 t -102.72 2.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.61 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 1.3 t80 -102.37 -72.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.57 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 39' ' ' PHE . 1.8 pp -57.3 -21.58 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -106.76 -24.26 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.53 -51.91 5.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -153.58 -18.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 1.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 46' ' ' ASN . 10.8 m -83.26 -11.32 57.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -48.5 -11.53 0.15 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 44' ' ' THR . 32.1 t-20 42.38 38.72 1.27 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 109.886 -179.712 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' C ' ' N ' ' A' ' 49' ' ' VAL . . . 58.51 116.14 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.319 -1.113 . . . . 1.0 110.319 -179.658 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.565 ' CD1' HD21 ' A' ' 41' ' ' LEU . 6.1 mp -52.56 -10.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 1.0 109.831 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' N ' ' C ' ' A' ' 47' ' ' GLY . 4.5 m -54.41 -8.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.292 179.524 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' LEU . 93.4 mt -106.78 21.5 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.666 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 2.0 t90 -126.72 -51.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 t -76.95 -33.23 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 55' ' ' ARG . 55.6 t -59.56 -36.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -72.61 15.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.666 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -139.05 1.18 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.549 -179.981 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.28 -9.21 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 1.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 9.1 t80 -55.36 -12.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -3.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.497 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 11' ' ' TYR . 34.1 t30 -101.65 4.79 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 72.03 -32.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.781 -179.862 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER 66.36 -152.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 -179.916 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.16 81.08 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.63 -0.988 . . . . 1.0 110.63 179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.16 -55.7 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.83 0.348 . . . . 1.0 110.699 -179.534 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -58.35 -30.51 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.84 -31.82 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -102.65 41.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.488 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 m -94.6 49.47 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 44.83 44.81 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.587 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.77 -64.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 48.3 mt-10 -144.34 62.93 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.512 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.4 m-85 -145.45 31.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -170.89 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.569 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -86.31 39.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.562 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 5.3 p-90 -168.55 25.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -41.51 -36.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.48 108.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -84.36 48.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.647 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 150.49 -38.55 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.24 48.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.815 0.341 . . . . 1.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.4 pt? -158.49 19.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.486 179.335 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.69 -38.29 7.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.29 179.809 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_endo -84.4 16.54 1.92 Allowed 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.289 1.993 . . . . 1.0 112.039 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -123.54 -21.39 5.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 33' ' ' ALA . 1.5 mp -105.77 -63.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -46.29 -38.22 8.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.547 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 tpp -78.01 -50.74 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.645 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' ALA . 48.2 mt -75.38 30.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.637 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 35.3 t -144.72 -22.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.601 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.1 t80 -77.94 -48.18 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.484 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.23 7.94 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.37 15.78 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 0.68 3.69 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -149.97 -50.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 1.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' THR . 6.8 m -63.93 -12.1 34.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.92 -64.03 1.35 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -159.01 -109.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 1.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.684 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -62.25 -130.42 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt 64.68 -7.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.578 0.228 . . . . 1.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.6 -29.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.853 -0.425 . . . . 1.0 109.853 179.479 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -127.18 3.9 6.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.994 178.926 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.541 ' N ' HD12 ' A' ' 50' ' ' LEU . 14.1 t90 -84.58 -81.72 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.16 -50.56 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.696 -179.881 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 39.5 t -49.37 -43.31 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -73.3 14.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 23.9 mtp85 -138.07 -25.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.559 179.912 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -2.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -137.28 -27.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.631 179.922 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.5 t0 -45.28 132.8 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.629 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 37.2 p-10 -89.79 -40.52 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 82.9 m-85 -153.4 -79.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 t80 70.61 -66.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.09 30.85 1.34 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.13 -155.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 1.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 46.35 15.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 8.6 t-20 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.4 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -106.07 39.82 1.72 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 -169.72 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.47 122.99 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.04 -53.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -141.65 32.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 54.9 m-85 -137.78 27.15 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.537 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 4.6 t -172.56 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.32 46.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 15.0 p-90 -163.47 -62.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.567 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.0 mmtt 48.14 73.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.57 124.95 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -44.02 23.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.641 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -138.7 4.35 3.0 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.61 42.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -140.72 15.94 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.55 -179.968 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -77.02 -35.02 1.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 179.846 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.2 Cg_endo -86.88 12.62 2.93 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 122.383 2.055 . . . . 1.0 112.043 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -108.28 -27.8 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -112.67 -65.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -53.8 -13.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 ttm -99.47 -68.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.473 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 33' ' ' ALA . 53.9 mt -47.47 -46.65 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' GLY . 68.6 t -49.24 -32.08 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.531 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.42 -43.41 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.54 15.64 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -153.04 15.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.622 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -137.65 21.75 3.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -177.28 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -54.78 -32.43 60.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -47.22 -62.95 3.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 40.07 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 1.0 110.828 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.46 -13.28 3.74 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -84.94 -8.05 58.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 1.0 110.441 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 m -100.71 -3.56 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.636 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -135.63 1.04 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.626 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 6.5 t90 -83.64 -74.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.507 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -46.98 -46.99 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.581 179.878 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.91 -22.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.31 19.77 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.589 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 24.7 mtt85 -135.16 -31.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' GLU . 11.5 tt0 -88.12 92.3 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' GLU . 5.0 mm-40 -52.94 -170.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.68 -4.2 3.29 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.96 -175.23 0.62 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -57.99 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 1.0 110.569 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.23 -7.44 0.12 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.04 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.8 t70 -45.29 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.0 110.582 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 18.8 t-20 -99.64 27.27 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.527 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 62.99 -70.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 69.45 149.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.23 30.88 0.49 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.14 -19.76 65.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 16' ' ' GLN . 1.4 m-20 -56.99 -13.36 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -66.6 1.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 14' ' ' ASP . 23.3 mt-30 -138.89 41.76 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -140.08 165.02 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.577 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.08 89.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.3 m -139.06 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.583 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -141.22 40.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -139.68 6.22 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.0 t -138.44 -37.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -73.1 -34.31 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.55 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 1.1 p-90 -94.44 8.13 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.554 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -32.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -159.23 -74.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.04 -51.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.96 24.89 9.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.65 48.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 1.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.0 tp -172.22 -32.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.316 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -72.92 -35.47 2.91 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.412 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.24 -8.78 9.02 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.154 1.902 . . . . 1.0 112.017 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.03 -63.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -53.64 -30.9 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -82.61 -8.03 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 ttm -96.36 -31.62 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.22 -17.2 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.2 t -101.43 -3.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -75.14 -39.4 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.51 4.7 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -137.49 24.19 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 4.37 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -161.36 -57.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -50.51 -23.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.18 -75.87 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LEU . 6.7 m120 -137.05 -110.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.643 0.259 . . . . 1.0 110.452 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.5 22.37 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ASN . 5.1 mt -135.9 -45.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -45.06 -17.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.1 mp -92.8 -45.18 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -50.51 -58.93 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.541 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.51 ' OG1' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -51.09 -47.3 61.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 53' ' ' VAL . 96.7 t -73.81 5.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.87 -18.5 22.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.539 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -95.51 -9.27 32.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.565 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLY . 30.3 mttp -96.8 -77.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.585 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.23 -69.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . 87.86 26.61 28.8 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -145.5 -106.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 1.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -167.98 28.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.58 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 59.41 35.48 23.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -144.29 153.64 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.601 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -164.58 44.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.586 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -92.29 86.16 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.33 166.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.78 5.47 3.11 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.79 100.48 0.5 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -26.26 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.6 p90 -138.83 -34.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 13.5 t70 -47.28 91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.521 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -138.2 -41.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.568 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -65.28 -47.41 76.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.69 145.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.24 37.72 4.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.83 -96.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 1.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -22.44 39.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.561 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -50.64 -36.81 37.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.21 41.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.1 t -150.88 -162.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' SER . 40.0 t -100.63 -36.98 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.553 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -149.89 52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -138.43 10.29 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' TRP . 4.9 t -174.13 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.29 21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 33.0 p-90 -138.49 -53.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 28.8 mmtt 43.45 -94.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.561 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' TRP . 94.6 p -172.0 124.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.669 ' H ' HD11 ' A' ' 31' ' ' ILE . 5.4 t -85.8 43.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.637 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 102.12 13.4 31.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.42 30.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 1.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.22 17.36 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.382 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -88.4 -39.38 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.096 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -59.62 2.35 0.3 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.29 1.993 . . . . 1.0 112.113 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -129.5 -59.9 1.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mt -47.66 -55.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -24.72 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 ttp -74.2 -27.89 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.1 mt -78.55 -24.37 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.11 -29.48 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.588 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 41.1 t80 -69.41 -22.85 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.82 26.79 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.7 tp -172.28 51.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.69 -23.76 0.1 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -125.73 -36.75 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.904 0.383 . . . . 1.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -57.47 -30.27 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.33 -63.9 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 1.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.89 34.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' LEU . 54.7 mt -105.92 -62.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 1.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -50.49 -10.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.2 mt -102.66 -21.72 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.524 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.502 ' CD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -85.78 -55.21 4.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 8.1 t -45.99 -32.9 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.52 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.92 -31.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' TRP . 2.3 t80 -60.98 -30.7 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 57' ' ' LYS . 1.7 mpt_? -85.71 -36.81 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.609 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -8.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 55' ' ' ARG . 45.1 tttt -56.95 -40.49 76.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.588 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 -105.92 2.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.484 ' CG ' ' H ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -52.37 -99.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 38.9 t-80 -174.26 -73.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.615 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.6 140.94 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.565 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -145.27 81.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.626 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -171.39 58.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.587 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.72 41.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.66 142.46 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.13 42.54 76.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -170.14 73.28 0.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.68 -25.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 1.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -140.46 -39.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 31.3 t70 -48.09 165.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -161.7 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -50.02 -46.57 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.81 -158.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.19 -30.64 0.46 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.61 -166.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -30.96 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -45.04 -52.43 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -95.45 46.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 t -139.7 166.07 25.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -42.18 99.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.85 -30.61 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.1 mt-10 -138.04 -41.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.612 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.59 66.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -160.74 -48.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.585 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -64.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 p-90 -66.13 -19.12 65.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 117.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p -77.73 -74.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.611 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.75 -2.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.528 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -169.63 24.83 0.1 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -105.33 -64.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 1.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.96 17.25 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.9 mm -79.88 -35.57 0.95 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.46 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.2 Cg_exo -60.16 -15.81 36.41 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.162 1.908 . . . . 1.0 111.958 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.73 -59.08 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.8 mt -54.83 -64.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -43.03 -39.69 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 mmm -63.5 -58.93 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.05 31.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 23.9 t -138.56 -21.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 1.3 t80 -83.68 -40.69 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.15 -8.72 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.05 26.94 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.58 22.36 0.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -170.03 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -101.26 -32.31 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.614 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.1 -0.48 61.71 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.17 4.78 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 1.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.72 19.49 54.49 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.2 mt -135.21 -27.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -74.09 14.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.475 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -144.74 9.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.682 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.445 ' N ' HD12 ' A' ' 50' ' ' LEU . 3.0 t90 -103.33 -52.88 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.545 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.1 t -80.56 -29.58 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.555 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.39 -40.11 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -14.58 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.633 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -102.24 5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -101.14 -74.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.591 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -55.76 -5.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -66.53 7.11 1.52 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.491 ' H ' ' C ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.2 8.0 5.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.771 0.32 . . . . 1.0 110.445 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.53 -56.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.39 148.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -101.34 171.53 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 24.7 t-80 -165.43 60.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.561 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -140.16 63.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -57.01 159.48 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.22 51.94 2.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -98.58 -39.22 3.72 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 42.27 23.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -143.67 -5.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.5 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -46.36 124.07 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -158.81 -47.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -52.4 -44.25 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 1.8 t80 69.66 -65.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.539 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.52 -31.65 14.7 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -42.73 -28.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 1.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 11' ' ' TYR . 3.3 p30 -49.1 -17.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 40.1 t-20 -50.73 -35.11 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 41.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' CYS . 64.0 m -139.74 -168.15 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 16.0 p -101.28 -37.09 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.0 mt-10 -144.92 48.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 33.5 m-85 -140.99 27.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -173.8 -34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -82.64 5.46 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' NE1' ' O ' ' A' ' 20' ' ' GLU . 7.2 p-90 -141.04 35.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 162.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -74.64 -74.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.626 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 74.37 -15.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.56 3.27 3.21 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 26' ' ' SER . . . -127.88 -7.9 5.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.631 0.253 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.3 mm? -110.96 -12.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.413 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.673 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -89.27 -39.49 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.26 -18.07 42.95 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.273 1.982 . . . . 1.0 111.933 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.92 -55.39 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' TYR . 57.7 mt -54.94 -79.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' ILE . 83.2 t80 -41.49 -44.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.3 ttm -51.88 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.67 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.5 -42.37 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.35 23.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.9 t80 -108.42 -33.69 7.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -82.63 -12.87 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.34 18.31 3.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.01 -14.9 2.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -142.66 -60.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -44.04 -26.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.587 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' HD12 ' A' ' 48' ' ' LEU . . . -69.38 -48.63 43.73 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.76 20.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 144.21 35.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD12 ' HA2' ' A' ' 45' ' ' GLY . 95.7 mt -130.52 -34.54 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 1.0 110.452 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 49' ' ' VAL . 8.1 p -87.81 -4.54 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.521 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -131.88 -3.37 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.694 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 4.4 t90 -86.19 -74.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -45.58 -46.27 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.545 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -49.74 -34.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -67.92 -22.28 65.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.522 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.694 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 17.3 mtt85 -99.05 -39.15 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLY . 31.9 mmtt -62.98 -32.29 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 68.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -75.64 -12.79 83.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.447 ' CG ' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -178.54 -87.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 1.0 110.537 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -87.62 163.83 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -81.74 -50.79 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -63.34 168.33 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.527 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 79.5 t60 -174.28 68.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 45.07 63.86 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.539 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.69 157.65 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.99 -3.33 89.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 77.11 103.26 0.16 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -3.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 5' ' ' GLY . 12.5 p90 -151.66 29.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.599 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 15.3 p-10 -51.62 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.587 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -153.81 -42.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.58 -31.1 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' C ' ' H ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER 70.84 -66.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.543 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.33 29.87 1.18 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -61.7 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 1.0 110.503 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 47.87 12.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.532 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 13' ' ' ALA . 24.4 t30 -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.025 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -108.86 33.36 4.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.32 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -145.12 171.95 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.552 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.48 78.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.1 p -47.15 -61.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.633 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt-10 -136.9 4.1 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 62.4 m-85 -81.31 60.29 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -174.87 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -76.7 61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 26' ' ' SER . 67.4 p-90 -174.18 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.719 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.3 mmtt -39.33 91.51 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 79.26 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.466 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -92.0 42.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 154.19 -22.26 0.67 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.996 -0.841 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 42.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.97 2.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -78.88 -39.42 1.5 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.164 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.8 -5.71 3.86 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.24 1.96 . . . . 1.0 111.939 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.04 -80.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -41.72 -32.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.583 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -76.67 -51.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.75 -24.35 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.59 -9.64 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 95.4 t -93.97 -7.95 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.01 -33.18 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.492 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.22 -5.24 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.589 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.37 70.12 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -19.31 0.22 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.5 m -125.66 -37.79 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 1.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.2 t -50.34 -11.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.511 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -39.2 -94.02 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' LEU . 4.0 t-20 -156.87 -139.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 1.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.12 -7.05 1.86 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' ASN . 5.1 mt -90.61 -1.67 57.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.346 . . . . 1.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 70.3 t -99.56 -2.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.6 3.31 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.654 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.5 t90 -101.8 -79.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.456 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -67.88 -34.57 76.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.508 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.2 t -69.92 -32.45 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.62 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 74.2 t80 -74.94 21.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.59 -10.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.624 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 58' ' ' GLY . 1.5 tptp -63.12 -35.68 81.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.557 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.56 ' NZ ' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -55.27 -6.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 99.34 49.69 1.53 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.6 m170 55.96 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 58' ' ' GLY . 46.8 m80 -103.27 -97.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.552 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CE1' ' NZ ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -152.25 137.46 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.544 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -86.69 -170.74 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.625 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -171.75 48.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 1.0 110.598 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ttm . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.65 73.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -57.15 126.36 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.83 -45.63 0.04 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 148.95 116.13 0.82 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 6.2 t0 -70.46 13.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 13.5 m-85 -144.72 4.29 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 2.9 p30 -50.6 128.06 19.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.607 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -89.19 13.54 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 62.68 -71.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 3.0 t80 69.61 143.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.2 37.86 2.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.59 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.559 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -21.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -50.95 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -97.67 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 96.78 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 42.98 42.03 2.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 21' ' ' TYR . 22.0 p -83.69 62.61 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.582 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.7 mt-10 42.45 52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.7 p90 -143.64 25.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -144.5 -37.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 32.5 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.33 -33.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.622 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 60.29 -73.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -173.97 -74.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.0 -12.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.507 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -148.96 13.49 1.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.58 56.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -173.27 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -70.87 -39.55 8.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.24 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.42 -2.43 1.38 Allowed 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.256 1.971 . . . . 1.0 112.017 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -102.83 -59.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.539 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -57.06 -55.2 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.23 72.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.0 ttp -74.03 -33.87 63.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -40.0 94.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' GLY . 58.4 t -52.48 -34.64 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -71.88 -25.75 62.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -103.28 0.02 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.593 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.67 8.61 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -87.45 -48.69 4.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -140.68 -33.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 1.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 44' ' ' THR . 8.5 m -63.17 -12.79 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.557 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.25 -40.61 2.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -102.87 44.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 1.0 110.614 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.25 22.05 2.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.71 -9.46 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -91.73 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -140.2 8.7 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 52' ' ' THR . 23.6 t90 -96.7 -86.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.576 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 3.0 t -53.36 -37.32 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.11 -32.27 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.91 -46.76 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.71 23.32 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -47.95 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HZ3' ' C ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -54.32 -24.44 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.612 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . 140.74 -67.76 0.48 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.435 ' CG ' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 175.01 101.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 1.0 110.524 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' C ' ' HZ3' ' A' ' 57' ' ' LYS . 95.3 m-70 42.41 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -166.76 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -49.24 165.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -165.01 47.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 m80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.563 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 51.15 43.63 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.616 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.513 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.17 38.43 4.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.39 85.3 1.23 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -44.69 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.2 p90 -140.63 45.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.23 112.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.561 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.3 p-10 -93.62 21.13 6.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.84 -40.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.598 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.7 t80 75.12 -161.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -41.17 -30.6 0.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 -84.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 1.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m-20 -58.14 -49.38 77.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.21 -37.39 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -100.55 41.59 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -143.67 -164.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.591 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.48 87.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.518 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -145.37 100.77 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 6.6 mt-10 62.87 -0.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.669 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 1.3 m-85 -108.05 26.03 10.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.567 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -174.09 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.587 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -72.7 53.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 34.8 p-90 -172.32 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -41.32 99.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 74.48 101.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.567 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -66.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.22 -29.72 59.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.27 44.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 1.0 110.666 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 18.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.697 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.605 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -71.75 -38.74 6.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.195 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -86.86 14.85 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.499 2.133 . . . . 1.0 112.071 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -115.84 -31.4 5.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -106.45 -37.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -75.95 -29.61 58.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 38' ' ' VAL . 15.5 mmm -85.09 -46.95 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 33' ' ' ALA . 41.3 mt -75.32 28.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 41.4 t -143.09 -9.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.54 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -90.36 -35.25 15.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -101.14 5.45 42.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.598 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.8 mt -143.65 15.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 -0.21 3.85 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 -63.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 1.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -47.2 -22.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.51 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.43 -64.43 2.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.466 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 51.3 p30 -107.26 -128.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 1.0 110.675 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.466 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . 40.74 39.59 1.9 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.91 -10.25 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 1.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.68 11.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.559 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -136.92 4.5 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.549 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -97.97 -68.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.591 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -47.51 -46.36 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -43.44 -26.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -82.32 -38.46 24.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 1.5 mpt_? -71.55 -35.43 70.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -60.46 -40.17 90.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -40.95 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.624 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.7 7.06 26.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 1.7 m170 64.47 37.78 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 1.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -79.73 52.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.41 142.98 56.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.561 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.4 p80 -98.32 136.56 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 19.3 m80 -164.75 64.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.53 42.77 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.524 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -56.41 144.79 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.569 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.37 36.57 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -97.49 115.11 5.17 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 41.82 22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 1.0 110.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 46.84 46.95 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.572 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -51.06 161.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' TYR . 9.0 p30 -81.73 2.75 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.562 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 65.01 -69.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.55 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.503 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 -53.84 1.56 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 44.21 35.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 1.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 45.38 17.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.7 t30 -70.65 -39.3 73.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.75 41.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.7 139.2 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 40.34 35.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.74 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 5.7 t -102.34 91.09 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 8.6 mt-10 58.07 21.81 8.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 50.7 m-85 -101.1 13.21 35.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.88 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.524 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.41 40.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.2 p-90 -160.31 -41.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.5 mmtt 41.85 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' TRP . 12.7 p -172.6 126.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.0 p -102.3 53.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.609 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.66 -26.02 2.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.8 41.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 1.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.06 13.02 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.6 mp -79.72 -34.5 0.88 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.509 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.0 Cg_exo -59.5 -32.5 96.39 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.046 1.83 . . . . 1.0 111.977 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.71 -61.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.3 mt -53.42 -32.69 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 31.4 t80 -77.78 -16.22 58.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -88.07 -43.01 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.552 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -74.84 20.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 77.9 t -142.42 -15.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 9.3 t80 -78.27 -14.36 59.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.96 -9.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.526 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -138.2 62.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.86 -25.77 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.14 -47.23 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.0 110.307 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -45.88 -31.62 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.15 -83.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.06 16.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.65 38.91 3.16 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -100.75 -5.63 26.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 49' ' ' VAL . 74.1 t -100.14 -3.23 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 8.07 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.491 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.7 t90 -92.57 -78.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.573 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.11 -32.69 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.32 -30.28 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.63 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.61 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -71.84 -9.23 58.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.623 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -99.58 -56.84 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -41.77 -35.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.52 -77.37 1.74 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.98 120.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.365 . . . . 1.0 110.581 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -160.51 -45.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 157.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 2.8 p-80 -141.81 -175.58 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.597 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 10.7 t-80 -167.9 65.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.577 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.78 69.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.95 158.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.6 39.1 6.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -95.04 73.47 0.96 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.44 20.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 1.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' GLY . 4.1 m-85 -155.95 123.45 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.35 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -99.45 -0.79 40.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 67.58 -66.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t80 79.17 102.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 71.48 -59.11 1.21 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.57 -84.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 1.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -53.18 -38.95 63.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -42.56 -37.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.39 41.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.58 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ASP . 43.8 t -138.74 169.9 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 1.9 mp0 -57.11 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.53 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.43 30.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.4 mt-10 -144.57 -36.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 75.6 m-85 -89.59 5.46 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.1 p -142.32 -35.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.9 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 12.3 p-90 -106.55 -68.85 0.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.037 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.52 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.692 0.282 . . . . 1.0 110.847 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -101.59 91.82 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 m -73.0 37.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.597 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 127.76 5.63 5.3 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.59 34.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 31' ' ' ILE . 4.3 mm? -101.32 16.76 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.37 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -39.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.279 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.0 Cg_exo -58.67 -16.95 33.03 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.215 1.943 . . . . 1.0 112.043 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.55 -69.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mt -43.26 -45.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.87 -38.91 87.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 ttm -64.21 -52.67 57.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.61 -57.56 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.4 t -44.51 -26.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.59 -45.93 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.88 -4.47 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.63 16.23 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -138.65 8.48 3.38 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.9 m -155.97 -53.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 1.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -28.05 68.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.52 -61.97 3.04 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.14 14.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -84.07 11.74 56.48 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.08 2.59 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 1.0 110.591 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 49' ' ' VAL . 80.3 t -93.13 -0.77 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.531 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.94 -34.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 17.9 t90 -49.46 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.66 -43.36 2.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.602 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -51.15 -37.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.23 -42.95 92.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -101.2 22.81 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -90.36 -46.56 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.381 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -6.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 151.63 -78.15 0.21 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -171.17 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 1.0 110.613 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.8 OUTLIER 172.57 111.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.634 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 53.55 178.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -64.78 -179.96 0.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.451 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 15.0 p80 -158.44 42.37 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.564 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.95 56.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.81 144.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.5 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.65 -53.85 0.53 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.12 117.29 2.2 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.41 -38.7 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -151.52 17.45 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -56.25 133.76 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.619 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 11' ' ' TYR . 11.4 p30 -85.67 21.38 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.526 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.9 m-85 62.77 -71.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 69.4 t80 49.66 -87.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.6 48.6 1.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -80.34 -69.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 1.0 110.607 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.67 -17.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ALA . 21.0 t-20 -61.12 -37.01 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.23 41.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' CYS . 43.6 t -144.47 127.68 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -43.24 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.514 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.4 t -94.71 -54.16 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.69 27.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 22.0 p90 -137.64 50.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 t -173.57 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -5.27 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.5 p-90 -140.22 -70.84 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 48.93 100.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.57 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.2 p -151.63 80.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -77.95 46.02 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 138.59 -5.58 3.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 69.42 50.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 1.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 20.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.526 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.8 mm -80.77 -35.77 0.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.468 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.2 Cg_exo -59.75 -17.98 45.98 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.13 1.887 . . . . 1.0 111.99 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.21 -58.27 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.528 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.9 mt -51.45 -30.41 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.635 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -79.9 -30.89 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.27 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.73 -17.21 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 34' ' ' ILE . 99.5 t -92.96 -7.16 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.13 -32.14 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -5.64 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.18 75.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.96 -14.97 0.59 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.459 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -131.72 -37.62 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.769 0.319 . . . . 1.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -48.5 -13.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' N ' ' C ' ' A' ' 43' ' ' THR . . . -66.66 -81.14 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -138.27 57.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.713 0.292 . . . . 1.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.56 -23.87 4.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.8 pp -103.46 -18.46 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.692 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 HD23 ' A' ' 50' ' ' LEU . 32.8 m -54.02 -7.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.496 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.2 mt -89.85 2.86 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -111.46 -36.46 5.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.52 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -78.06 -48.55 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.455 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.3 t -41.78 -33.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.77 -41.66 97.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.6 mtt-85 -78.94 -43.5 24.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -74.46 1.36 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.616 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -48.23 -50.69 28.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.07 -62.57 0.75 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.05 74.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 1.0 110.565 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -160.12 129.03 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.608 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.4 m80 43.97 86.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -77.41 10.96 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' ND1' ' C ' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -169.1 66.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.52 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.533 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.04 62.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.86 135.65 56.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.31 51.06 3.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -160.78 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 16.6 t70 -63.93 3.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 1.0 110.685 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -172.12 87.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.675 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.0 122.48 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.468 ' OD1' ' CE2' ' A' ' 10' ' ' TYR . 50.0 t-20 -156.2 -41.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' GLY . 85.2 m-85 -156.44 -80.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.0 t80 62.0 -72.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -83.12 -49.24 5.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . 43.11 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 1.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -58.02 -7.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.521 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.4 -64.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -97.88 47.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 18' ' ' GLU . 5.8 t -139.58 45.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 17' ' ' SER . 2.0 mt-10 40.3 94.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.757 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -101.51 38.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.5 42.92 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.523 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 12.6 p90 -137.82 33.92 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.91 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -32.83 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -83.19 -0.14 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.92 108.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.16 83.35 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -69.03 -31.7 70.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -139.49 6.31 2.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 74.95 37.13 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.0 4.3 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.55 -41.01 4.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.6 Cg_exo -57.77 -6.44 2.49 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.218 1.946 . . . . 1.0 112.044 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.59 -60.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.58 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.62 -33.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.05 77.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.6 tmm? -70.92 -36.08 72.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 11.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.2 t -137.99 7.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -95.26 -54.17 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -68.29 -2.79 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.558 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mt -126.05 -19.63 4.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.638 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.26 33.73 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.44 -40.56 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 1.0 110.546 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -74.36 -5.08 40.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.5 -17.38 24.21 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER -137.85 -44.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 1.0 110.628 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -65.59 71.68 0.11 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' ASN . 3.8 mt -147.76 -17.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 1.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.3 p -94.59 -3.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 pp -136.53 2.34 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 52' ' ' THR . 9.0 t90 -92.6 -74.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 2.8 t -52.78 -37.41 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.481 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -48.31 -37.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.517 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -72.93 -19.58 61.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.8 mpt_? -92.52 -34.62 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -63.26 -40.74 98.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.1 -29.74 5.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 90.77 52.49 2.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER 43.73 95.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 1.0 110.611 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' N ' ' CD ' ' A' ' 57' ' ' LYS . 1.4 t60 68.82 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.539 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -90.88 149.25 22.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 48.3 p-80 -157.49 82.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.58 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -153.84 41.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m80 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.074 -0.965 . . . . 1.0 110.572 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 47.04 52.38 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.525 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.17 128.99 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.13 38.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.46 108.62 1.57 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.36 36.78 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 1.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -144.57 -3.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 141.78 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.607 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -139.65 6.93 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.557 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.97 -40.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.3 t80 76.82 125.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.28 42.54 82.83 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -94.05 -29.78 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 1.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -50.74 -25.45 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.91 -38.68 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.58 41.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' CYS . 97.8 p -102.94 -167.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 86.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' SER . 13.5 t -137.58 -54.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 77.0 mt-10 -137.81 4.17 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -101.47 -0.11 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 p -143.68 -36.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.74 -31.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 21.6 p-90 -101.46 -57.53 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.595 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.8 94.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HG ' ' HZ3' ' A' ' 24' ' ' TRP . 54.1 p -145.18 113.04 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.558 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.4 m -92.96 15.71 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -168.35 -34.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.36 44.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.46 18.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.689 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.617 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.41 -38.96 9.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.078 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.91 -9.03 8.84 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.197 1.932 . . . . 1.0 111.794 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.35 -58.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.7 mt -53.95 -28.57 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' VAL . 43.3 t80 -81.64 -70.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.656 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 7.6 ptm -43.0 -25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.64 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 35' ' ' TYR . 5.2 mt -68.54 -43.41 76.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.2 t -59.47 -31.06 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.2 t80 -67.13 -21.64 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 mt -108.25 -26.54 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -102.09 -3.57 27.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.461 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -67.17 -53.11 27.76 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -138.07 -36.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 1.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.87 -31.72 70.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.63 24.46 3.19 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.77 119.56 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 1.0 110.494 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.55 34.91 5.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.38 -34.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 1.0 110.594 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.1 p -82.08 -2.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.64 -0.14 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.662 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.9 t90 -101.96 -83.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.4 t -59.75 -13.57 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.62 -48.34 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -39.44 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.56 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -80.01 -33.79 38.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -60.59 -52.48 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.553 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' HIS . 22.7 tttt -54.7 -28.27 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.514 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.4 -74.04 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -151.59 -163.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 1.0 110.529 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -42.1 117.83 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -42.07 -52.14 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 59.78 -160.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -169.13 42.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.57 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.523 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 46.84 48.13 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.588 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.8 148.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.21 -43.43 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . 168.38 154.45 8.85 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -57.77 80.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' GLY . 95.2 m-85 -156.73 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t0 43.39 20.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 63.3 t30 -140.06 28.6 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.88 -71.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.09 -65.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.581 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.11 35.57 1.08 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -93.79 -100.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 1.0 110.59 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.48 -18.33 6.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -54.91 -41.44 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -99.82 41.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -138.77 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.14 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' SER . 45.1 t -86.89 -45.26 11.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 11.5 mt-10 -138.91 52.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 48.6 m-85 -138.39 7.58 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 12.9 t -172.19 -34.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 15.4 p-10 -88.82 59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 18.6 p-90 -171.1 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 47.56 14.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.581 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.43 106.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.512 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.466 ' OG ' HD13 ' A' ' 31' ' ' ILE . 55.8 p -71.38 0.6 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.644 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.59 52.86 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.6 25.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.744 0.307 . . . . 1.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -110.03 -25.62 10.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.68 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -66.7 -40.45 31.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_exo -57.82 -29.85 87.41 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.216 1.944 . . . . 1.0 112.0 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -66.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -53.5 -32.07 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.97 -21.64 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' VAL . 35.5 ttp -81.92 -39.72 23.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.57 13.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' MET . 22.7 t -137.5 -19.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.631 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -72.26 -39.88 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.325 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 -12.78 15.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.36 67.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.91 -19.12 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.467 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.4 m -123.22 -40.77 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 t -47.62 -15.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 43' ' ' THR . . . -41.2 -93.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' LEU . 23.5 m120 -138.45 -104.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 1.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.87 23.11 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' ASN . 9.3 mt -133.16 -17.34 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 1.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -79.48 9.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 11.69 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.631 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.76 -58.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.623 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.7 t -76.72 -32.29 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.396 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.49 -29.11 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.97 31.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -139.95 -19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 23.24 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.54 21.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.491 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.05 -34.04 1.95 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.86 42.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 1.0 110.647 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.63 23.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -165.49 35.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.586 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -151.61 115.28 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 7.0 p80 -169.2 58.75 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 20.7 m80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.91 -1.043 . . . . 1.0 110.634 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -95.8 92.69 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.496 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -57.04 152.4 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.69 58.09 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -84.93 -81.2 1.08 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.74 2.46 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 1.0 110.611 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -102.26 -27.68 12.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.617 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.3 135.38 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' TYR . 8.2 p-10 -95.68 19.43 11.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 3.0 m-85 70.8 -40.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.5 t80 69.24 -150.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -41.29 -50.29 4.54 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 71.7 -42.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 1.0 110.617 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.2 m-20 -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.89 -37.12 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.552 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.43 43.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' CYS . 16.1 m -138.69 -169.77 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.557 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.8 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.8 p -85.13 87.08 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 68.47 24.05 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.669 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.89 -1.7 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 23' ' ' ASP . 8.8 t -172.84 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' HG23 ' A' ' 22' ' ' THR . 44.7 t0 -74.82 63.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 16.0 p-90 -161.92 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 24' ' ' TRP . 5.8 ptpt -39.84 132.92 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -71.88 -73.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.486 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.98 -15.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -142.87 7.72 2.18 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -101.36 -62.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.98 -0.27 36.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -73.35 -40.59 5.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.4 Cg_exo -57.65 -14.97 18.84 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.234 1.956 . . . . 1.0 112.025 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.75 -65.85 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.46 -42.36 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.98 -46.81 68.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.62 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttm -59.54 -26.47 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -85.51 -29.1 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 38' ' ' VAL . 94.4 t -91.68 7.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.502 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -96.61 -36.79 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.552 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.34 -4.61 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.44 5.47 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.18 -43.83 5.51 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -139.39 -40.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 1.0 110.616 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m -55.64 -34.8 65.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.39 -23.97 0.33 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.45 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -138.85 6.09 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.711 0.291 . . . . 1.0 110.499 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.53 7.16 81.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' LEU . 5.6 mt -100.42 -24.98 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 46' ' ' ASN . 4.8 m -70.85 11.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.514 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' LEU . 32.3 mt -115.79 -46.05 2.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.647 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 3.9 t90 -84.96 -29.4 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 55' ' ' ARG . 12.0 m -81.09 -51.21 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.75 -26.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -94.96 29.04 2.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.647 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.8 mtt85 -141.67 -20.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -22.91 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.53 -34.76 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.45 -40.75 2.32 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -165.8 -136.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 1.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.593 ' N ' ' CG ' ' A' ' 59' ' ' HIS . 30.6 m170 -82.4 -107.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -140.56 -63.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 20.3 t60 -75.24 -88.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.534 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 36.0 t-80 -174.57 70.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.981 -1.009 . . . . 1.0 110.536 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -149.21 42.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.552 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.91 106.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.86 15.1 59.85 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -59.12 -83.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -70.97 40.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 1.0 110.699 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER 57.36 28.7 15.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t0 42.05 90.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.583 ' ND2' ' CD2' ' A' ' 10' ' ' TYR . 2.7 p-10 -65.88 -55.6 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 75.9 m-85 -55.57 -56.07 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 44.62 -96.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -61.87 -63.67 4.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 72.37 -45.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 1.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.0 m-20 -58.06 -4.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -80.01 1.16 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -139.09 42.04 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -100.59 101.17 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 43.46 41.79 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.42 50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 53.47 60.81 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.612 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -150.72 23.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.526 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -167.08 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -11.48 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.586 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.4 p-90 -149.68 -68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 19.1 mmtt 41.92 71.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.0 p -169.39 125.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.02 16.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.503 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 134.13 0.51 3.8 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.17 52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 1.0 110.725 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.836 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -138.68 30.72 2.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.553 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -78.57 -39.17 1.58 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.851 179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.7 Cg_endo -86.27 24.33 0.76 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.503 2.135 . . . . 1.0 111.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.25 -33.38 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.0 mt -105.58 -48.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 39.3 t80 -74.26 -6.21 46.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.427 ' C ' ' H ' ' A' ' 38' ' ' VAL . 41.5 ttm -102.22 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.69 -8.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.563 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 93.2 t -102.28 -14.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.65 -33.58 75.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.538 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.76 -4.71 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -136.81 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.6 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.29 -31.19 0.04 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.97 -46.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 1.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -41.71 -34.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.551 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.32 -78.25 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -154.58 17.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.21 36.8 3.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -101.41 4.38 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 1.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.18 -29.34 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.66 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.17 11.9 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.648 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 3.0 t90 -97.38 -80.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.7 t -51.57 -31.14 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.313 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.78 -23.05 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CE1' ' NZ ' ' A' ' 57' ' ' LYS . 6.5 t80 -64.99 -27.48 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.678 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -65.64 -34.21 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.52 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -98.49 29.21 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.607 ' NZ ' ' CE1' ' A' ' 54' ' ' PHE . 8.0 tttp -47.33 -52.1 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.8 -59.65 0.56 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.67 -86.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 1.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.65 -173.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.643 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -73.19 -61.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.585 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.56 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -160.26 45.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.516 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -150.06 44.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.38 119.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 42.08 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.34 -30.63 10.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 41.75 31.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 8' ' ' ASP . 82.5 t80 -167.3 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 9.5 t70 41.86 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.6 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p30 -69.56 9.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CE1' ' O ' ' A' ' 8' ' ' ASP . 0.8 OUTLIER 68.91 -65.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.538 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 58.93 149.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 41.11 30.45 0.42 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.9 -19.96 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 1.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -55.58 -22.75 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -48.15 -44.15 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.35 43.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.79 132.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.81 100.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 44.2 t -98.44 -5.27 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' THR . 13.2 mt-10 -145.5 -53.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.582 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -65.65 68.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.2 t -173.51 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -10.37 59.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.629 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.3 p-90 -141.5 -52.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.61 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 39.13 49.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p 79.78 123.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -86.27 52.84 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.78 -17.52 2.4 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.41 41.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 1.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.36 -1.89 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.87 -38.81 5.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.171 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 56.0 Cg_endo -86.67 8.46 4.42 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.467 2.111 . . . . 1.0 111.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -110.4 -26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 51.4 mt -111.65 -35.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.584 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -81.72 -22.11 37.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 tpp -88.72 -56.58 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.648 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 33' ' ' ALA . 43.8 mt -57.56 -17.13 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.586 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.3 t -100.8 1.77 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -100.92 -18.34 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -102.44 -7.75 21.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.01 10.07 3.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.59 -41.0 4.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 44' ' ' THR . 15.2 t -138.51 -43.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 1.0 110.572 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.553 ' N ' HG23 ' A' ' 43' ' ' THR . 4.6 m -54.08 -17.22 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.525 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.49 93.55 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -159.07 114.96 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.26 -20.55 2.45 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -89.79 -32.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 1.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 11.8 p -75.42 24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.479 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' LEU . 2.0 mt -134.42 -44.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.488 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CZ3' ' OG1' ' A' ' 52' ' ' THR . 3.0 t90 -86.8 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.34 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.513 ' OG1' ' CZ3' ' A' ' 51' ' ' TRP . 4.5 m -45.72 -17.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.502 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' N ' ' C ' ' A' ' 51' ' ' TRP . 5.6 t -82.48 -33.96 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' TRP . 7.2 t80 -45.97 -43.41 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.53 -38.23 22.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.517 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -64.02 2.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 55' ' ' ARG . 38.6 tttm -41.65 -29.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 58.88 -102.24 0.27 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 42.23 -91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 1.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.3 t-80 -165.55 -27.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.6 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.9 t-80 59.34 -133.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.577 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 21.3 p-80 -65.55 156.6 32.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 2.1 p-80 -161.0 53.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.563 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.76 68.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.617 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.31 154.8 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.96 -47.08 0.19 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 84.99 -77.24 2.13 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 8' ' ' ASP . 13.2 t0 -70.88 40.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 1.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' GLY . 25.5 m-85 47.63 16.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.572 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 6' ' ' ASP . 3.3 t70 -45.87 124.77 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 19.2 t30 -149.53 22.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 68.03 -66.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.566 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 64.59 141.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.49 40.32 2.74 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.57 -22.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.09 -22.93 43.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -34.75 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -101.09 41.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' CYS . 7.5 t -102.22 -172.1 2.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -58.75 78.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.515 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 79.2 m -147.68 71.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 66.55 31.0 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 60.5 m-85 -131.0 45.51 2.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.505 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -171.39 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.595 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.21 14.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' THR . 12.0 p-90 -138.36 6.04 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.6 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 125.03 11.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.627 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.31 -62.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.501 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 77.42 -3.88 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.659 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.53 35.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 26' ' ' SER . . . -115.84 -57.52 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.782 0.325 . . . . 1.0 110.533 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.97 -6.04 21.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.652 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.08 -38.73 11.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.14 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -87.05 8.29 4.44 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.44 2.093 . . . . 1.0 111.766 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -112.67 -12.07 13.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.32 -63.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -59.91 -12.19 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.587 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.7 ttp -99.9 -45.67 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.561 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' ALA . 19.5 mt -71.77 13.41 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 93.8 t -131.69 -13.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.59 -29.37 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -5.67 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.298 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.55 73.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -19.06 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.584 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -136.25 -46.98 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 43' ' ' THR . 1.8 m -46.8 -32.32 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.02 27.31 0.72 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -141.51 75.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 1.0 110.625 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.43 -40.07 0.18 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 mm? -69.84 -174.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.587 0.232 . . . . 1.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.2 p 38.92 22.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.769 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mt -138.96 -35.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -101.02 -45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.406 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -67.48 -12.37 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.8 t -76.91 -37.78 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.722 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -74.16 19.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.6 mtp85 -130.51 -20.1 2.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -33.5 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 tttt 70.83 -58.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.17 -13.21 3.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -168.68 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.572 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -177.24 -68.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.562 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.85 -5.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 54.8 71.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 84.7 t60 -172.44 42.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.028 -0.987 . . . . 1.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 50.28 41.39 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.967 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -169.08 127.97 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.211 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.2 36.22 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -160.96 -128.97 0.99 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 43.99 21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' GLY . 39.9 m-85 41.93 61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' OD1' ' CD1' ' A' ' 11' ' ' TYR . 23.5 t70 -59.21 134.31 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.637 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 11' ' ' TYR . 6.7 t-20 -154.68 -36.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.592 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' ALA . 37.8 m-85 -42.22 -26.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CD1' ' OD1' ' A' ' 8' ' ' ASP . 3.3 m-85 -37.57 -71.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -51.44 -25.17 12.47 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 41.12 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 1.0 110.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -51.76 -25.04 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -44.86 -34.34 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -101.68 41.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -139.01 -168.96 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -42.31 101.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 20' ' ' GLU . 8.3 t -152.68 -63.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 63.6 mm-40 -137.86 11.18 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.561 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 64.6 m-85 -98.34 14.46 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.62 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 23' ' ' ASP . 10.2 t -171.81 -37.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.509 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 22' ' ' THR . 1.4 m-20 -73.44 45.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.649 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.2 p-90 -157.17 -59.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.2 mttt 42.07 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.622 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . 68.9 m -94.66 -75.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER 71.29 -12.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -146.57 12.34 1.54 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -134.81 1.35 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.709 0.29 . . . . 1.0 110.641 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 29' ' ' ALA . 2.5 mp -125.0 -19.51 5.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -90.41 -39.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.196 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 59.6 Cg_endo -86.63 17.46 1.75 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.406 2.07 . . . . 1.0 112.155 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.19 3.1 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.514 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.8 -45.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -26.38 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.4 ttp -81.47 -36.29 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LEU . 14.1 mt -75.4 31.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.596 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 92.1 t -139.3 -26.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.0 t80 -68.75 -22.17 64.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.424 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 -1.84 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' LEU . 32.0 tp -147.09 70.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.63 -24.58 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -139.86 -29.94 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.356 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' THR . 10.5 m -64.31 -9.6 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.12 -41.6 2.82 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 48' ' ' LEU . 19.5 t-20 -104.28 -9.61 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.74 0.305 . . . . 1.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' HD11 ' A' ' 50' ' ' LEU . . . -72.91 37.09 0.74 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -98.83 -4.02 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 1.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -30.72 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -95.67 4.82 52.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 1.0 110.508 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.706 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 6.2 t90 -92.37 -70.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.471 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.15 -46.6 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.564 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.98 -41.28 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.566 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -51.46 -43.5 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.706 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 1.1 mpt_? -65.74 -29.94 70.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -76.35 -29.08 57.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -30.67 12.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.665 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 51.62 37.01 40.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.879 . . . . 1.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' GLY . 33.9 m170 54.59 167.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 1.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 t60 64.29 131.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -91.68 140.72 29.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -90.43 129.31 36.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.624 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 1.9 t60 -163.35 50.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.58 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.57 65.29 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -43.29 156.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.667 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.79 -6.1 54.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 160.98 113.43 0.31 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.88 40.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 1.0 110.73 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -160.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.553 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.36 104.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.573 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.41 23.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 67.8 -66.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.552 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.2 t80 67.22 131.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 48.4 5.09 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.81 -23.85 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.586 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -55.13 -32.42 62.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.622 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.56 -44.47 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -95.64 42.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' CYS . 8.8 t -140.38 -165.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -41.63 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.9 t -148.56 86.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 40.4 mm-40 60.19 8.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 67.4 m-85 -101.49 41.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.51 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 175.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.591 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -11.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 17.1 p-90 -150.52 -48.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.74 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER 41.21 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.598 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 8.0 m -166.33 119.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.625 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.825 ' H ' HD13 ' A' ' 31' ' ' ILE . 26.3 t -75.56 2.46 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.88 38.21 0.13 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.61 15.73 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 1.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.82 1.7 37.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.601 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.825 HD13 ' H ' ' A' ' 27' ' ' SER . 1.1 mp -74.78 -40.19 3.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.3 Cg_exo -57.95 -34.79 98.79 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.19 1.927 . . . . 1.0 112.04 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.92 -64.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.78 -32.71 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 24.2 t80 -77.67 -26.17 50.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.485 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.4 ttm -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -75.19 24.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 38' ' ' VAL . 52.1 t -143.5 21.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.388 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -108.73 -40.7 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.213 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.59 -2.49 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.326 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.05 -23.49 3.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.62 -25.98 70.64 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -61.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 1.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -48.53 -27.76 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.442 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.44 75.19 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 41.94 89.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 1.0 110.511 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.07 -31.04 2.59 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -59.75 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 1.0 110.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.52 -17.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.95 -4.63 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -92.37 -55.88 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.542 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.36 -47.51 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.596 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.63 -28.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -54.87 -36.65 65.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -94.31 -37.3 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -5.45 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.554 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -47.4 -49.39 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.498 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.54 12.25 55.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -100.91 -29.32 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 1.0 110.614 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 69.5 24.75 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 1.9 t60 50.6 70.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.53 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 23.4 t-80 -172.54 63.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.533 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 1.8 t60 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.354 -0.609 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -92.83 81.64 4.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.94 147.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.624 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.94 36.41 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 7' ' ' PHE . . . 142.1 -122.97 2.1 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 t70 48.31 12.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 1.0 110.797 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 2.9 p90 177.29 17.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -154.06 35.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.481 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 6.4 m-85 64.91 -69.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.609 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.7 t80 76.09 101.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.43 -54.98 1.58 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 46.84 41.96 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 45.4 22.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.1 t30 -95.39 -28.21 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -137.66 42.45 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.4 t -142.61 -165.97 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -53.06 88.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' SER . 41.0 t -90.1 -58.25 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.88 3.31 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -86.12 56.19 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.9 p -147.41 -36.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -71.25 -65.52 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 11.8 p-90 -72.58 49.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.706 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 0.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.528 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 24' ' ' TRP . 8.6 m -168.8 113.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -3.73 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 131.45 33.41 0.45 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.54 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 1.0 110.438 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.38 17.11 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -77.6 -33.81 1.08 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.777 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.4 Cg_exo -59.3 2.34 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.03 1.82 . . . . 1.0 112.16 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.98 -48.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.678 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.19 -71.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -48.64 -31.29 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -68.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.71 47.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.96 -30.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 2.2 t80 -86.2 -33.74 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.86 8.55 11.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.49 9.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.9 -31.39 5.41 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 44' ' ' THR . 9.3 t -139.76 -46.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 1.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.578 ' N ' HG23 ' A' ' 43' ' ' THR . 2.3 m -56.68 -36.94 70.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.1 -40.57 7.34 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.21 104.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 1.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 50' ' ' LEU . . . 160.94 42.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.97 -27.01 6.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.852 0.358 . . . . 1.0 110.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -77.48 13.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.523 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -142.31 6.3 1.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.705 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.85 -60.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.461 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 53' ' ' VAL . 9.0 t -66.42 -45.62 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 52' ' ' THR . 24.0 t -47.09 -20.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.57 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -72.12 -66.45 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.708 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -48.04 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -131.27 43.19 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.478 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -47.17 -59.34 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.56 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 98.6 -72.46 0.57 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 58' ' ' GLY . 18.7 m170 -53.93 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 1.0 110.523 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -138.95 100.64 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 172.96 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.613 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.502 ' HD1' ' C ' ' A' ' 62' ' ' HIS . 3.2 t-80 -93.04 60.59 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 3.3 t-80 -170.2 54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.597 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.9 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.944 -1.026 . . . . 1.0 110.56 -179.986 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.52 42.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -52.52 179.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 50.54 59.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -48.02 128.72 17.17 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -4.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 9' ' ' ASN . 34.9 t80 -60.4 -38.95 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -74.61 25.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 7' ' ' PHE . 15.3 p-10 -60.19 -23.87 64.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -141.14 -59.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 t80 62.83 137.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.76 31.25 57.83 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -83.46 -40.96 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 1.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -57.74 -5.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' ALA . 2.8 m120 -55.94 -39.58 71.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.03 42.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -156.02 -166.14 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.88 88.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' SER . 42.0 t -101.09 -47.99 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -143.24 54.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.554 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -142.85 19.35 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -174.13 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -16.25 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 9.0 p-90 -99.95 26.27 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.11 146.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -101.15 90.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.487 ' OG ' HD13 ' A' ' 31' ' ' ILE . 99.2 p -54.72 -12.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.518 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.35 62.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.27 39.65 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 1.0 110.557 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.55 -24.25 3.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mp -67.29 -40.09 24.99 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.86 -38.14 93.67 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.248 1.966 . . . . 1.0 111.966 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.9 mt -54.98 -38.42 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.522 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 3.9 t80 -70.73 -34.24 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.51 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.1 mmm -65.22 -54.03 35.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.16 -18.84 65.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.5 t -102.05 -10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 t80 -68.5 -33.62 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.487 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 -4.58 26.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.508 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.23 58.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.67 -30.64 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -128.38 -47.06 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.853 0.359 . . . . 1.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -41.73 -29.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.51 -74.1 0.37 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 t30 40.47 91.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 1.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 145.53 -25.41 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -108.58 0.25 20.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.799 0.333 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m -101.57 29.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -161.77 -33.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -86.32 -76.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.805 -179.698 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.2 t -53.81 -11.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.688 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.1 t -90.8 -21.0 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -59.54 -25.0 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.698 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -19.18 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.628 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.0 mmtp -107.11 16.05 24.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.614 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -67.37 66.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -42.36 -58.46 3.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.08 123.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.402 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.6 t-80 70.11 -158.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.461 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 1.4 t-80 -142.1 -152.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 73.5 t60 48.13 73.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.45 ' C ' ' HD1' ' A' ' 63' ' ' HIS . 5.6 t-80 -171.45 65.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -88.44 66.25 8.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.85 148.81 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.526 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.9 41.86 0.1 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -63.42 164.81 29.02 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -5.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 1.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -54.83 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.602 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.61 132.25 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -99.78 -36.3 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.48 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -90.13 -79.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.594 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.75 150.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.565 ' O ' ' ND2' ' A' ' 15' ' ' ASN . . . 41.22 32.94 0.72 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.68 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.02 -10.25 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.565 ' ND2' ' O ' ' A' ' 12' ' ' GLY . 72.0 m-20 -61.08 -33.98 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.4 41.43 1.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.51 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' CYS . 36.3 m -101.82 -170.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.494 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.56 80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -148.11 -37.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.22 24.79 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 78.6 m-85 -140.45 28.63 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -164.96 -35.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.53 -76.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.7 p-90 -41.93 -49.17 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 39.13 -90.65 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.986 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.565 ' OG ' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -97.67 -70.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.53 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.72 -16.43 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.657 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.51 4.4 3.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -125.71 -24.09 3.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.637 0.256 . . . . 1.0 110.745 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 29' ' ' ALA . 4.3 mm? -114.64 -26.36 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.316 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -75.28 -33.87 1.51 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.699 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.3 Cg_exo -60.07 3.45 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.019 1.813 . . . . 1.0 112.194 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -135.3 -70.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.721 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mt -41.26 -21.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' ALA . 82.7 t80 -83.74 -38.63 21.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 tpp -63.26 -44.9 93.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.38 -28.41 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.3 t -100.49 -6.6 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' TYR . 86.2 t80 -67.86 -34.26 76.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -5.56 24.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.14 68.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -27.16 0.08 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 t -137.93 -21.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' THR . 8.6 m -75.73 -11.46 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.94 -15.23 58.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -139.84 6.73 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 1.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -91.39 7.08 80.64 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 50' ' ' LEU . 70.6 mt -100.43 -36.6 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -53.41 -8.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.53 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.4 mt -102.85 -51.98 3.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' A' ' 53' ' ' VAL . 1.2 t90 -80.71 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 52' ' ' THR . 20.6 m -51.21 -10.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.493 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 51' ' ' TRP . 5.3 t -100.18 -29.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.9 -11.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -102.05 -18.93 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.495 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -92.01 -2.05 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -47.9 -38.47 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.728 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 57' ' ' LYS . . . 39.41 95.15 0.01 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -158.7 -48.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 1.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -94.97 -56.71 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.617 179.901 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER 60.31 140.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.561 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -93.14 -156.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.582 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 71.0 m80 -156.68 54.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.546 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.38 98.28 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.43 119.02 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.48 -41.28 2.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 171.11 154.43 9.71 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -4.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 1.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.1 m-85 -55.84 -73.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -42.46 126.52 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -153.43 -38.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -89.78 -65.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.531 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 72.8 t80 51.27 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -63.41 -55.78 23.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 50.74 -173.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 1.0 110.508 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -50.67 -31.05 15.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -53.95 -35.68 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.87 53.55 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' GLU . 16.8 t -155.72 115.24 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 10.0 pt-20 33.1 48.9 0.16 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.447 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 1.7 t -72.56 -77.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 66.8 mt-10 -142.93 21.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' CA ' ' HE1' ' A' ' 24' ' ' TRP . 80.8 m-85 -107.62 -16.58 14.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.0 p -133.72 -32.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.714 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.6 -20.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.783 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HE1' ' CA ' ' A' ' 21' ' ' TYR . 1.3 p-90 -103.76 -96.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 31.3 mttm 55.73 18.86 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.628 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 1.3 m 163.04 136.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.601 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.8 p -79.17 55.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.612 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.25 -17.25 2.51 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.131 -0.787 . . . . 1.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.5 23.93 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 1.0 110.667 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -107.1 -10.72 15.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.672 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -75.35 -38.9 2.92 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.182 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.7 -12.57 22.08 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 111.762 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -52.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.503 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.2 mt -63.07 -52.08 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -52.88 -28.29 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.58 -64.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.586 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -72.25 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 18.3 t -137.33 -21.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -38.67 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.504 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.55 2.74 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.72 -34.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.01 -43.08 16.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 44' ' ' THR . 8.3 t -148.68 -47.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 1.0 110.606 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.589 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -57.03 -10.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -59.59 -27.6 63.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 16.6 m-80 -156.9 -64.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.594 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 126.35 9.12 4.66 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? 45.03 16.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 1.0 110.571 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' GLY . 1.8 p -112.63 -27.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.17 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -105.09 -0.77 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 14.4 t90 -80.92 -85.95 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.519 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.43 -47.6 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -47.1 -53.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -33.11 54.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.522 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 14.7 mtt-85 -82.73 -32.25 28.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.558 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -73.57 12.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' ARG . 9.3 ttmt -55.03 -45.74 75.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.586 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.2 -58.44 4.61 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -86.14 60.11 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 1.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -43.45 128.23 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.36 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.94 16.78 3.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 42.5 t-80 -171.68 65.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.943 -1.027 . . . . 1.0 110.625 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.431 -0.581 . . . . 1.0 109.431 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.06 120.33 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.461 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -160.39 155.97 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.58 -23.35 64.87 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 139.16 111.82 1.0 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 2.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.322 . . . . 1.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 t80 -102.56 -21.53 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.551 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.43 123.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.599 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -138.85 -37.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 80.5 m-85 -42.39 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 86.9 t80 52.45 -90.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -44.69 -54.08 6.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 43.13 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 1.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.42 -20.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -70.76 0.69 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -138.15 42.13 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -138.71 142.19 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 44.54 45.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.609 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -138.25 -43.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.63 8.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' HG22 ' A' ' 22' ' ' THR . 6.8 m-85 -97.4 70.29 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -173.4 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.63 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.04 9.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.592 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.5 p-90 -141.87 -44.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 11.1 mmtp 52.31 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.645 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 57.7 p -101.54 -69.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 1.3 m 51.77 17.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.25 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -131.52 -42.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.691 0.281 . . . . 1.0 110.712 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -103.41 -17.6 15.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -62.71 -40.27 62.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.781 -0.367 . . . . 1.0 111.026 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 3.9 Cg_exo -70.86 29.28 0.21 Allowed 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.297 1.998 . . . . 1.0 111.892 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -141.7 -45.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.788 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.93 -19.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -90.1 -30.29 17.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.412 179.728 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.492 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 1.1 ppp? -86.4 -23.87 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.481 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.93 -24.93 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -78.82 -8.83 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.31 -41.95 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 0.17 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.611 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.61 31.17 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.51 2.77 3.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.8 m -166.39 -50.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 1.0 110.357 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -56.89 -4.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.363 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -38.8 -75.66 0.09 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.92 130.47 0.4 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.802 0.334 . . . . 1.0 110.727 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 -39.13 3.0 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.838 0.351 . . . . 1.0 110.423 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.36 8.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.583 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -127.39 -0.01 6.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -97.44 -72.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.66 -46.97 58.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.556 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 53' ' ' VAL . 95.1 t -56.21 -6.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 52' ' ' THR . 11.8 t80 -100.36 7.69 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -166.64 81.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.564 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.53 -35.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.538 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -8.48 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 60' ' ' HIS . . . 48.35 52.49 18.53 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' CG ' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 47.53 14.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.341 . . . . 1.0 110.646 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -101.22 103.44 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.82 16.75 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.542 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 1.4 t-80 -154.94 -136.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.542 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 66.1 t60 -165.47 61.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -96.86 65.85 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -55.56 149.19 14.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.43 51.35 1.58 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -147.59 82.6 0.19 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER 44.31 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.535 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.28 -7.94 0.12 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.064 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -50.42 139.23 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 1.0 110.621 179.795 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' TYR . 3.2 t30 -143.22 9.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 m-85 70.83 -40.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 61.94 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.528 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -68.37 -63.17 3.7 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.34 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.632 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -51.1 -20.13 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.0 -39.09 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -99.19 41.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' GLU . 2.4 t -141.42 125.6 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.8 pt-20 33.11 48.08 0.14 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.377 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 51.53 69.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 3.1 p90 -141.0 7.55 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.9 t -156.48 -37.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 22' ' ' THR . 1.2 t70 -64.57 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 7.3 p-90 -93.04 8.77 38.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.534 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.08 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 93.44 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -52.12 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.53 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -99.82 -15.91 30.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.18 48.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.342 . . . . 1.0 110.713 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.5 19.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.774 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.8 mp -74.02 -34.36 2.02 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.491 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.8 Cg_endo -87.14 9.51 3.91 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 122.306 2.004 . . . . 1.0 112.02 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.85 -58.18 2.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 73.4 mt -74.49 -43.6 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -69.78 -18.45 63.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 36.7 ttm -92.88 -59.42 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.614 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 5.1 t -138.52 -36.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.524 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -67.75 -19.15 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.03 16.83 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.494 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.67 50.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.626 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 -26.76 0.08 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -123.91 -47.35 1.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -42.6 -30.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.51 -88.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -159.14 97.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 1.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.47 66.74 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.44 -29.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 1.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.46 17.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -147.14 11.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.607 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.42 -65.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.556 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.6 t -75.68 -34.42 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.24 -31.53 53.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -12.31 59.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 19.2 mtp180 -94.99 13.51 24.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' GLY . 41.5 mmtt -99.08 -56.28 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -12.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.605 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 56' ' ' LYS . . . 140.62 -80.81 0.26 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -171.11 61.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 1.0 110.596 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 54.9 26.68 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.9 t-80 -166.9 -142.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.609 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 81.4 t60 54.98 104.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -176.28 50.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.61 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.532 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 51.27 42.26 28.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.509 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -47.99 116.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.29 -46.54 3.26 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 97.29 -96.08 1.79 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.21 4.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 1.0 110.646 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -77.67 -75.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.524 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.71 111.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' TYR . 16.7 p-10 -101.81 10.74 39.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' TYR . 4.3 m-85 67.94 -66.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t80 56.06 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 40.82 26.62 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -63.47 -27.46 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.825 0.345 . . . . 1.0 110.594 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.15 -7.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t-20 -66.21 -39.29 89.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.508 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -100.15 41.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' CYS . 5.7 t -92.42 -162.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.29 40.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.659 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.2 p -70.36 -59.43 2.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.524 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.0 mm-40 -127.98 -27.7 2.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.624 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -72.7 54.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.89 -48.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -62.98 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -59.59 -19.78 51.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -41.72 126.68 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 3.3 m -73.34 -73.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.18 -17.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.523 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -135.51 2.31 3.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 26' ' ' SER . . . -129.18 -6.4 4.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.655 0.264 . . . . 1.0 110.638 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.6 mm? -111.05 -11.57 14.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -38.93 0.42 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.407 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.9 Cg_endo -82.38 28.12 0.58 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.228 1.952 . . . . 1.0 111.895 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.98 -51.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.276 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.16 -58.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.39 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -49.89 -23.8 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.4 179.913 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.484 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 7.6 ttm -89.51 -44.94 9.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.488 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.22 -16.44 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.445 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.0 t -102.23 -7.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 43' ' ' THR . 83.9 t80 -65.96 -28.71 69.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.4 -5.39 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.486 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -135.16 76.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.87 -14.18 0.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 44' ' ' THR . 7.8 t -135.29 -48.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.571 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.597 ' N ' HG23 ' A' ' 43' ' ' THR . 1.6 m -54.76 -28.48 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.38 50.91 0.08 OUTLIER Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -40.16 -63.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' C ' HD22 ' A' ' 48' ' ' LEU . . . -146.0 36.89 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' C ' ' A' ' 47' ' ' GLY . 4.1 mm? -103.93 -13.09 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 1.0 110.573 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.1 m -97.53 16.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.896 -179.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -143.13 7.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.611 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 52' ' ' THR . 6.4 t90 -103.72 -80.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.522 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -65.29 -35.01 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.556 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.37 -21.28 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -78.99 -13.56 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 27.1 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -89.83 -48.89 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.326 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -57.07 -5.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.577 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 56.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -169.36 105.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 1.0 110.508 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -160.71 -67.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.491 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' HIS . 1.4 t-160 61.03 133.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.541 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -94.97 -172.01 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.586 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.447 ' CG ' ' C ' ' A' ' 62' ' ' HIS . 3.6 m-70 -149.09 42.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.568 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.594 -179.975 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -76.78 49.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -48.99 163.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.614 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.11 21.48 10.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.23 142.32 18.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -55.91 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 1.0 110.59 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 9' ' ' ASN . 10.2 m-85 62.66 -71.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' ASP . 2.5 m-20 -57.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' PHE . 7.3 p30 -86.28 -1.02 57.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.1 m-85 64.63 -69.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 62.08 -71.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -57.01 -62.61 6.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.35 -91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.03 -45.19 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.598 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -52.19 -37.97 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.9 41.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 19' ' ' CYS . 50.1 m -139.19 140.2 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -54.4 83.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.5 p -77.49 60.28 2.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.6 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 41.77 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -144.72 22.77 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.606 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -166.43 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.12 -34.63 73.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.534 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.9 p-90 -97.07 -45.33 6.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.682 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.05 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.018 179.882 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 m 66.36 92.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -43.84 -62.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -136.69 9.19 3.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.22 55.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 1.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.833 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.2 pt? -144.74 29.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.74 -38.79 1.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.872 179.724 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 55.2 Cg_endo -86.59 10.65 3.54 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.427 2.085 . . . . 1.0 112.011 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.75 -27.87 7.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.39 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.0 mt -105.83 -49.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.1 -23.14 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 74.1 mtp -92.04 -51.9 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.72 33.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 34' ' ' ILE . 25.6 t -137.22 -16.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -104.16 -58.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -86.51 10.21 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.619 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 41' ' ' LEU . 38.4 tp -140.0 -37.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.74 7.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.58 HG23 ' N ' ' A' ' 44' ' ' THR . 9.7 t -148.66 -46.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 1.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.58 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -58.09 -12.96 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.02 -19.74 3.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 15.7 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 1.0 110.612 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.43 14.05 58.81 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -92.51 -1.99 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 1.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -103.15 -4.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.626 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.25 12.05 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.646 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' THR . 18.6 t90 -99.66 -84.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 10.0 t -60.54 -31.13 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.16 -39.63 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.72 29.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -137.83 -33.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 0.0 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -54.45 -19.11 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.561 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.12 -57.93 0.88 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.677 ' CD2' ' CE1' ' A' ' 62' ' ' HIS . 0.0 OUTLIER -138.23 -101.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.742 0.305 . . . . 1.0 110.581 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 2.4 p80 -161.41 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 14.8 m170 -96.55 154.72 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.677 ' CE1' ' CD2' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -167.65 -178.89 4.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -160.66 60.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.622 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.2 42.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.52 144.73 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.49 -26.18 72.42 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -178.8 105.86 0.2 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -4.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 1.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -60.34 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.655 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.66 119.47 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -158.94 -44.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.587 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . 53.9 m-85 -87.13 -35.82 18.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.06 -66.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.538 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -91.39 65.0 2.52 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.2 -36.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.05 -21.88 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -53.13 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -94.37 43.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -143.55 -162.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.566 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -137.91 33.29 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.472 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 -36.2 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 61.2 m-85 -82.68 -49.81 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.7 p -46.99 -33.4 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.03 -22.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.0 p-90 -140.51 -74.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 3.5 mtmt 40.23 94.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 1.0 110.781 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 82.5 5.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.559 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -43.39 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.657 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -108.54 -3.44 32.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.18 49.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.954 0.407 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.84 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -140.61 27.0 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.172 179.404 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -74.73 -34.6 1.83 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.666 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.6 Cg_endo -83.41 27.78 0.6 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 122.017 1.811 . . . . 1.0 111.83 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.39 -67.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.163 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.777 ' N ' HD13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -67.07 -48.36 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.011 179.696 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.39 -20.7 64.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 23.0 ttm -88.45 -60.26 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.31 40.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.625 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.8 t -141.8 -24.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -89.2 -38.14 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.33 -1.7 28.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.639 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -142.38 15.33 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.67 13.37 2.21 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -158.57 -42.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 1.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -75.4 -25.23 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -36.48 7.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.95 4.65 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 1.0 110.605 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.24 24.49 2.07 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 46' ' ' ASN . 35.0 mt -101.99 -4.78 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 1.0 110.519 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 92.9 t -95.02 -3.26 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pp -130.5 -30.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.497 ' HE1' ' HE ' ' A' ' 55' ' ' ARG . 15.5 t90 -59.79 -72.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -48.86 -48.51 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.529 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 53' ' ' VAL . 5.6 t -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.66 -27.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 15.6 mtt-85 -92.7 -59.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.496 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 58' ' ' GLY . 19.7 mmtt -49.17 -23.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 40.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.719 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -91.67 41.22 2.86 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -101.5 -89.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 1.0 110.528 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.35 140.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -50.01 -63.73 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.525 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 30.1 t60 -166.02 88.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.631 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.8 t60 -159.89 55.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.562 -179.964 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -95.63 73.39 3.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -56.79 162.67 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.97 -24.0 0.29 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 61.2 114.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -4.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 1.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 p90 -165.45 30.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.05 138.05 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.547 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 43.2 t-20 -95.59 27.02 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.26 -66.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.592 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.1 t80 71.46 -64.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.64 64.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -41.69 -28.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 1.0 110.579 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.13 -17.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.54 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.4 t30 -71.82 -54.08 11.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -98.07 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.567 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 19' ' ' CYS . 72.9 m -147.3 174.23 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 1.8 pt-20 -53.8 84.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 t -97.31 -40.27 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -146.22 55.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -137.89 12.87 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.532 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -149.32 -48.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.86 17.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.603 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 3.2 p-90 -143.17 20.99 1.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.63 116.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -102.2 91.36 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.09 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -50.75 -27.53 13.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 1.0 110.679 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 17.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.799 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.99 -37.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.297 179.8 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_endo -84.9 5.16 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.23 -28.27 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.45 -56.74 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.14 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.01 -15.4 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 38.1 ttm -91.75 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.6 t -137.39 -39.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -73.82 -16.01 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.2 2.27 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.559 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -145.48 32.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.93 24.95 0.11 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -174.16 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 1.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -84.4 -25.82 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.09 -27.37 0.41 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.54 18.01 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.03 30.97 8.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -93.9 2.88 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 1.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -100.11 -37.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -96.94 -0.18 47.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.67 -179.847 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -51.93 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 1.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -69.98 -38.16 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.505 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.35 -19.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CD2' ' N ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -68.92 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.564 -179.916 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.596 ' N ' ' CD2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -59.74 -2.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.585 ' CD ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -98.05 -62.4 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.152 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.06 21.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.816 179.629 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.585 ' H ' ' CD ' ' A' ' 56' ' ' LYS . . . -53.09 93.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -152.57 -71.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 1.0 110.627 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 51.6 t-80 -148.28 77.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -53.61 133.56 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -82.82 -62.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 179.937 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 89.3 m-70 -158.47 44.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.468 ' CG ' ' OXT' ' A' ' 64' ' ' HIS . 2.5 p80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.565 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 48.77 40.95 17.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -169.9 126.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.149 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.81 -32.76 4.62 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 161.23 106.77 0.21 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.79 -3.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.0 110.631 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -137.7 10.45 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.531 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 18.0 p30 -50.67 87.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.564 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 57.1 t30 -155.94 31.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 98.4 m-85 54.4 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.1 t80 73.59 143.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 32.07 2.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -50.5 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 1.0 110.531 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -25.78 7.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -34.98 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -101.3 41.73 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 41.8 t -156.16 -168.17 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' OG ' ' A' ' 17' ' ' SER . 1.4 pt-20 -42.21 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' SER . 39.1 t -138.0 54.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.4 34.28 23.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.548 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -138.43 11.2 2.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.541 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 9.0 t -158.15 -36.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.619 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -55.13 -6.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 22.1 p-90 -139.4 37.62 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.9 tpmt? -70.02 94.49 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.555 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p 80.12 131.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.4 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.7 m -72.67 17.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 139.92 -4.1 2.63 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.85 27.05 0.23 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.709 0.29 . . . . 1.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.29 -3.05 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -69.69 -35.39 5.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.442 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -65.37 -19.26 61.59 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.901 1.734 . . . . 1.0 112.152 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -105.0 -71.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.99 -179.638 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -40.85 -28.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.64 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 38.4 t80 -85.57 -73.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.767 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 36' ' ' MET . 3.6 ppp? -41.88 -24.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.745 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' TYR . 5.6 mt -72.62 -49.97 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.3 t -57.89 -27.4 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.99 -52.96 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.582 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.96 -6.13 15.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.91 26.11 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -140.08 5.73 2.77 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -165.02 -36.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 1.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 m -73.48 -25.77 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.26 -59.94 2.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 8.5 p-10 -105.39 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 1.0 110.619 -179.88 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.32 -36.0 0.1 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.9 pp -100.99 -20.23 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 1.0 110.734 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.94 -10.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.7 mp -88.84 7.14 35.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.747 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -114.74 -34.49 5.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.482 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -81.28 -41.77 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.547 179.862 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.84 -18.59 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -87.87 -7.58 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.512 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.74 -32.07 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.616 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.22 -70.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 tttt 40.79 38.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.691 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.01 60.82 4.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 -1.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 179.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -168.55 83.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.15 154.22 17.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.654 ' CD2' ' H ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -62.87 163.64 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.593 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 13.5 t-80 -172.01 41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.581 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.654 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 5.2 t-160 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.629 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -93.14 95.56 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.5 166.5 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.49 1.65 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.04 150.17 5.2 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -44.72 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 1.0 110.552 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 21.8 p90 -138.21 118.05 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.616 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -164.48 -174.91 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.56 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.2 t30 48.12 12.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.733 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 74.3 m-85 -158.27 -39.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 53.4 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -65.64 -68.96 1.47 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 66.68 36.83 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 1.0 110.571 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER 44.56 18.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.498 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ALA . 9.7 t30 -84.15 -44.4 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -101.14 42.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -138.76 125.73 21.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 41.69 48.26 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 t -98.01 51.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 48.81 40.03 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.63 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 8.9 p90 -105.43 18.76 21.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.56 -39.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -64.85 -67.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.7 p-90 -45.87 -39.43 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.71 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 40.21 -129.03 0.38 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.463 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 6.5 m -166.88 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.3 m -59.45 -4.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.264 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 132.12 33.76 0.4 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.71 24.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 1.0 110.44 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 4.3 mm? -102.14 18.0 21.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -79.49 -33.63 0.84 Allowed Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.751 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 64.0 Cg_endo -87.58 23.46 0.8 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 122.333 2.022 . . . . 1.0 112.176 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.48 -35.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.7 mt -91.05 -57.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.98 -15.24 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 48.7 mtp -88.76 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.86 38.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.534 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.1 t -137.88 -18.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -103.82 -54.38 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.54 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.36 12.57 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -146.45 -38.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.96 -34.07 2.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 44' ' ' THR . 8.2 t -139.54 -36.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.0 110.461 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 44' ' ' THR . 7.7 m -72.68 -10.59 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.409 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.72 16.5 8.11 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -160.03 121.47 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 1.0 110.616 -179.952 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 106.29 -44.75 1.41 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.857 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -107.88 45.26 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.787 0.327 . . . . 1.0 110.323 179.919 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.91 6.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.3 mp -130.34 -3.04 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -34.06 7.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.532 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 t -93.42 -14.82 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.594 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.0 t -92.31 -16.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.4 m-85 -86.24 -7.77 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 -46.07 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.5 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -15.22 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' A' ' 59' ' ' HIS . 1.6 tmtp? -57.61 -24.07 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.578 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.05 40.5 0.56 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -139.92 -17.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.736 0.303 . . . . 1.0 110.614 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -102.13 5.69 40.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.555 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -50.38 -177.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.567 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -100.77 21.46 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.605 179.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -163.23 42.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.612 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 3' ' ' GLU . 3.8 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.0 mp0 -68.54 66.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 1' ' ' MET . 5.0 mm-40 -50.61 150.64 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 -14.38 2.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -138.2 89.72 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.79 2.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 1.0 110.582 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' GLY . 8.8 t80 -102.32 -58.42 1.88 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.59 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.09 131.65 48.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 t-20 -138.16 -44.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 77.1 m-85 -157.28 -43.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 67.16 126.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.89 33.4 56.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.56 -35.9 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.68 -15.78 2.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -100.62 42.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.1 173.92 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -45.64 105.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.69 -39.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.579 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -149.22 38.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.573 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -139.17 13.91 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -172.17 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.56 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 27.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 7.8 p-90 -159.82 30.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -48.34 -59.39 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 83.9 p -160.13 -76.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.513 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 74.24 29.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.825 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' H ' HG13 ' A' ' 31' ' ' ILE . . . 126.06 14.71 2.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -94.06 -64.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' A' ' 34' ' ' ILE . 2.0 pp -100.54 -2.47 32.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.884 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.15 -38.27 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.159 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.2 Cg_endo -87.28 22.46 0.92 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.454 2.103 . . . . 1.0 111.785 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -130.23 -32.52 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.468 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.3 mt -101.62 -35.15 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.02 -32.73 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.9 tpp -76.9 -48.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 33' ' ' ALA . 37.7 mt -74.68 20.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' GLY . 63.2 t -138.95 -25.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.11 -44.74 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.4 8.21 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mt -137.38 4.02 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -84.53 -35.14 14.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -149.47 -32.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.819 HG23 HD12 ' A' ' 48' ' ' LEU . 1.9 m -66.88 -46.82 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.03 -12.29 1.77 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.37 92.48 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 -179.934 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.07 -35.06 1.09 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 44' ' ' THR . 23.6 mt -100.06 8.77 43.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 1.0 110.585 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.6 -22.78 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -99.48 -14.3 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.736 ' HE1' HH21 ' A' ' 55' ' ' ARG . 0.9 OUTLIER -84.81 -71.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.591 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.9 t -47.96 -21.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.606 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 55' ' ' ARG . 5.5 t -83.95 -27.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' TRP . 18.2 t80 -69.93 9.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.123 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.736 HH21 ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -103.46 -46.56 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -70.9 -22.34 62.28 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.811 -179.73 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -70.93 40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -71.79 74.97 0.75 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.3 m170 47.0 16.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 1.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' N ' ' C ' ' A' ' 58' ' ' GLY . 0.2 OUTLIER -91.32 13.32 17.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.546 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.519 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 1.4 t-80 46.33 -140.18 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 1.4 t60 -71.18 -67.57 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.529 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 5.4 p-80 -157.23 44.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.582 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.964 -1.017 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -90.29 81.49 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.64 110.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.68 46.43 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -102.16 -165.99 26.76 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' PHE . 3.1 t0 41.99 21.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 60.67 124.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.59 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.82 97.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.538 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 11' ' ' TYR . 11.3 t-20 -127.88 -19.31 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 68.66 -39.39 0.41 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.683 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 9' ' ' ASN . 3.8 t80 53.27 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 1.0 110.686 179.716 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 40.48 29.49 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -71.25 -155.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.531 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 46.44 15.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.497 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 13' ' ' ALA . 17.1 t-20 -95.69 -35.46 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.387 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -107.01 39.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.51 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 m -140.45 165.76 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 3.1 pt-20 -54.3 108.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 29.9 t -93.67 -59.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 62.2 mt-10 -149.73 35.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -103.7 5.0 35.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.11 -46.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 19' ' ' CYS . 3.1 p-10 -75.37 28.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.5 p-90 -133.8 7.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.51 111.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.498 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.454 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 1.7 m -101.73 90.9 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -76.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.578 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.03 -10.82 84.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.32 41.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.779 0.323 . . . . 1.0 110.812 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.4 16.92 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.881 179.657 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -71.12 -36.9 5.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.024 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.3 Cg_exo -61.2 -17.56 53.26 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.053 1.835 . . . . 1.0 111.757 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -87.17 -80.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.651 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -33.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.692 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -73.83 -38.4 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 13.0 ttm -62.83 -35.51 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.21 19.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 46.1 t -138.99 -13.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -79.36 -58.41 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.6 7.64 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -135.08 4.2 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.598 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.02 -39.7 8.43 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 44' ' ' THR . 6.2 t -146.58 -39.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.742 0.306 . . . . 1.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.4 m -59.0 -26.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.552 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 41.45 2.34 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -35.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.722 -179.819 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . -135.11 -143.11 4.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 50' ' ' LEU . 60.2 mt 61.28 -67.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.526 0.203 . . . . 1.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.3 p -71.23 29.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.274 . . . . 1.0 111.042 -179.605 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.8 pp -174.76 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.3 t90 -86.49 -80.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.582 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -54.53 -11.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 1.0 110.694 -179.702 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.73 -33.11 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 56.9 t80 -68.91 -6.05 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.585 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -93.57 -33.01 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.483 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLY . 20.6 mttm -79.81 -69.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER 40.71 24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.64 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -65.82 68.35 0.12 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' LYS . 2.1 m-70 47.79 30.01 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 1.0 110.484 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -178.41 172.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.66 -30.57 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -162.76 174.27 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -162.13 43.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.054 -0.975 . . . . 1.0 110.537 179.985 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 47.77 49.6 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.96 152.24 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.546 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.19 48.78 1.82 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -142.39 -120.3 1.56 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -59.39 77.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.693 0.282 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -167.21 -41.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.548 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 6.4 t0 -55.35 119.07 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' TYR . 29.4 t-20 -139.62 6.24 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m-85 55.41 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 t80 78.62 -65.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.46 36.6 0.98 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -78.36 -151.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 1.0 110.529 -179.934 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.82 -9.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.626 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.96 -5.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 14' ' ' ASP . 25.7 mt-30 -136.62 43.23 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -149.16 133.9 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.6 pt-20 33.11 40.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.305 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -67.3 -61.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -141.4 70.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -148.45 16.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.17 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -40.62 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.618 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.427 ' CD2' ' C ' ' A' ' 24' ' ' TRP . 9.2 p-90 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.559 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 18.8 ttmt -40.38 116.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.4 m -75.51 -79.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.533 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.6 p 78.39 -14.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.627 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.75 15.38 0.62 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -101.52 -68.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 1.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.17 4.16 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -65.16 -40.97 49.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.72 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.3 Cg_exo -59.73 -47.34 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.289 1.993 . . . . 1.0 112.059 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -49.33 -33.0 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.46 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.7 mp -93.82 -33.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -78.61 -59.81 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.362 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' PRO . 41.9 ttm -49.31 -51.68 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.479 179.726 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 33' ' ' ALA . 45.3 mt -71.13 15.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.825 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 38.8 t -136.47 -14.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.475 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 48.8 t80 -69.57 -15.8 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.21 -6.29 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.96 76.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 -179.941 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -18.69 0.36 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 44' ' ' THR . 13.1 t -137.29 -44.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG23 ' A' ' 43' ' ' THR . 5.1 m -52.82 -9.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.27 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 113.38 0.83 24.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.4 t30 40.37 62.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.0 110.656 179.885 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.71 41.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 HG22 ' A' ' 44' ' ' THR . 6.4 mt -137.95 -47.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.96 -16.94 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.619 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.9 pp -109.56 1.6 19.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' ' 52' ' ' THR . 24.7 t90 -87.51 -100.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -40.46 -33.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.476 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.11 -51.61 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.9 m-85 -53.94 -20.51 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.294 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.6 -59.45 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 34.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.3 56.49 0.91 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 1.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -142.89 -27.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.794 0.331 . . . . 1.0 110.641 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -140.88 77.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.663 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.32 113.84 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -93.87 178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -169.69 41.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.551 -179.965 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 2' ' ' GLU . 0.1 OUTLIER 62.75 41.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.51 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.14 153.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . -176.58 28.87 0.07 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 4' ' ' GLY . . . -55.43 -163.01 0.02 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 1.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 17.9 p90 -139.91 -22.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.08 106.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 7' ' ' PHE . 3.8 m-20 -100.59 -50.13 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.714 ' CB ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 m-85 -137.94 -33.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 t80 64.52 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.83 -28.79 3.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.714 ' HB3' ' CB ' ' A' ' 10' ' ' TYR . . . -86.36 -18.74 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.616 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.26 -14.09 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.96 -36.35 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -101.33 42.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.52 153.35 23.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 45.25 40.49 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 1.3 m -128.5 79.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.222 179.833 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.0 mm-40 57.07 15.13 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 61.9 m-85 -105.78 94.25 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.196 179.686 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.649 ' H ' ' HE1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 69.82 -12.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.475 -179.76 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 21' ' ' TYR . 1.2 p30 -85.23 27.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.553 179.789 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE1' ' H ' ' A' ' 22' ' ' THR . 4.8 p-90 -142.66 -67.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 25.4 mmtt 52.19 10.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.7 p 174.34 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.34 -2.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -166.4 23.52 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.54 -27.65 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.63 3.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.3 mm -75.43 -35.73 1.92 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.27 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.9 Cg_exo -61.33 -3.99 3.71 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.079 1.852 . . . . 1.0 111.925 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.72 -77.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.698 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -64.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.683 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -51.98 -45.06 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.629 -179.932 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.597 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 14.5 ttp -61.8 -34.95 76.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.54 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LEU . 11.3 mt -74.78 38.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.534 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 43' ' ' THR . 57.9 t -136.74 -36.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.562 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 5.1 t80 -63.2 -22.05 66.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.53 5.16 3.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.217 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 37' ' ' LEU . 5.8 tp -152.6 69.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.51 -23.02 0.11 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.564 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -130.86 -44.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 1.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.564 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 t -52.41 -10.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.075 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 112.63 50.83 0.55 Allowed Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.84 81.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 149.67 -14.94 1.06 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -90.85 -22.89 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.495 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.58 20.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.532 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mp -132.31 -1.69 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.91 -59.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.557 -179.949 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -78.29 -34.12 49.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.604 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.84 -18.68 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.82 -14.66 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -95.49 -22.46 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 58' ' ' GLY . 22.6 mttm -68.83 -53.5 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.58 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -2.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 72.56 -91.29 0.56 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 29.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 1.0 110.58 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.81 -179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -143.73 74.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.547 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -54.3 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -176.97 42.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.594 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 35.7 t-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.06 -0.972 . . . . 1.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -148.59 77.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.9 168.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.9 -43.64 0.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . 142.02 -134.3 6.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 1.0 110.592 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 90.0 m-85 -150.45 -117.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' PHE . 12.1 t70 41.81 92.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.7 t30 -132.1 -4.17 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 66.52 -35.94 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.169 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.0 t80 73.89 -145.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 1.0 110.49 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -40.25 -29.88 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.56 -71.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 1.0 110.645 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -47.52 -30.06 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.512 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.46 -38.3 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -100.74 41.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.0 m -87.14 91.34 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' SER . 17.4 pt-20 33.22 42.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.362 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -83.86 -53.99 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 2.4 pt-20 -174.76 27.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 36.2 m-85 -102.54 31.7 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -172.34 -32.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.9 26.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 7.3 p-90 -138.72 -59.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 6.1 mtmt 40.8 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.611 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.13 116.1 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -73.73 56.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 97.45 10.65 53.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.69 17.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.6 mp -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.7 mp -67.9 -59.83 6.08 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.285 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 10.0 Cg_endo -51.43 -13.95 1.58 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.816 1.677 . . . . 1.0 112.098 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -94.86 -75.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.0 mt -47.42 -33.8 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -72.54 -27.06 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.468 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.0 ttp -77.53 -44.35 28.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.48 16.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.6 t -136.95 -22.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.3 t80 -68.45 -39.07 81.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.52 3.01 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -137.7 21.03 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.599 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.46 8.58 3.44 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -163.0 -42.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 44' ' ' THR . 12.8 m -71.79 -16.5 62.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.44 -58.09 5.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 41.86 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.98 -16.43 0.61 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -91.17 6.25 45.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 1.0 110.663 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 49' ' ' VAL . 41.8 t -103.35 -9.89 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.831 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -132.38 14.5 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.493 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.8 t90 -100.7 -70.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.537 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 8.7 t -71.08 -32.41 69.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.525 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.2 t -64.04 -39.31 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.68 22.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.2 mtp180 -137.25 -26.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -98.74 -12.21 21.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 68.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.6 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -80.02 27.28 2.71 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.22 92.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 1.0 110.653 179.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.38 117.87 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.549 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 2.5 t-80 70.34 -171.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.575 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -156.1 177.51 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.84 60.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.582 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.565 -179.979 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 62.23 41.88 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -43.46 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.54 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.24 -50.66 0.73 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 139.28 136.77 3.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.88 -4.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 1.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -60.2 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -56.35 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -145.54 -40.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.22 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.602 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 83.8 t80 54.68 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.88 59.77 1.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.37 81.38 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 1.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 t0 45.43 17.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.527 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 6.2 m-80 -101.56 -52.77 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 11' ' ' TYR . 2.7 mt-30 -103.66 40.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.87 82.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 46.73 43.71 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -40.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.451 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -150.83 20.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 25' ' ' LYS . 4.7 p90 -83.06 -0.36 48.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.585 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' TRP . 13.9 p -101.98 -30.93 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.51 179.79 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -41.94 -21.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p-90 -150.14 109.99 4.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.442 179.838 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 21' ' ' TYR . 8.8 mmtp -114.48 6.86 16.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -172.6 126.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -19.22 15.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.73 15.36 1.99 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.77 28.59 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.9 pp -135.41 -34.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 33' ' ' ALA . 6.2 mt -47.96 -59.7 5.41 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.335 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 7.6 Cg_endo -50.27 -7.85 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.804 1.669 . . . . 1.0 112.089 179.843 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' LEU . . . -95.39 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -19.64 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.78 -38.74 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 19.5 ttm -63.03 -41.59 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.503 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.37 38.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' MET . 21.5 t -137.93 -34.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -2.98 40.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.63 31.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.53 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -163.88 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 -30.12 11.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 44' ' ' THR . 14.6 t -99.58 -43.19 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 1.0 110.597 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG23 ' A' ' 43' ' ' THR . 2.2 t -79.68 -28.76 40.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.536 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -80.22 -48.1 6.62 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -158.84 95.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 1.0 110.555 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.13 31.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 -4.55 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 1.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 49' ' ' VAL . 86.5 t -97.87 -2.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 2.0 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.4 t90 -102.06 -53.49 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.531 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -81.12 -42.26 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.46 179.877 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.59 -27.44 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -57.9 -67.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -58.05 -28.44 64.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -71.11 -24.3 62.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HB2' ' HZ2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -41.56 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.698 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 101.79 51.89 1.07 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 -179.669 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.11 -20.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.732 0.301 . . . . 1.0 110.607 -179.995 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.3 t60 -76.72 47.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.488 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -41.38 154.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -93.54 122.11 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.561 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -169.52 47.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.422 -0.584 . . . . 1.0 109.422 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -139.26 42.09 2.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.544 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -56.58 120.07 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.0 46.58 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.02 138.45 48.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.84 -25.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 1.0 110.633 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 36.4 p90 -167.03 -53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.565 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 9.8 t70 42.9 94.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.5 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' TYR . 68.8 m-85 -92.64 -55.58 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 12.3 t80 55.77 161.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.613 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 41.18 30.75 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -74.98 -162.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 1.0 110.588 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -5.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.72 -36.85 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.493 -179.947 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.05 41.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -151.01 -172.03 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 3.0 mp0 -57.23 97.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -102.79 92.02 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.557 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 12.1 mt-10 52.79 24.72 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 35.5 m-85 -97.23 -7.61 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 24' ' ' TRP . 8.4 t -173.24 -32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.589 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.39 35.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.5 p-90 -149.95 -53.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.562 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 29.8 mmtt 42.9 -99.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 88.3 p -165.69 -72.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.53 18.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.788 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.07 2.92 2.94 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -71.85 -43.88 64.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.018 -0.273 . . . . 1.0 110.897 -179.738 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -130.11 4.91 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.353 179.692 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.6 mt -69.63 -35.79 6.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.801 179.345 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.2 Cg_exo -65.2 -13.52 40.22 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.882 1.721 . . . . 1.0 111.551 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.51 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -58.22 -68.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.668 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -41.43 -31.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.68 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.532 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 6.0 ttp -80.74 -43.44 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -5.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.1 t -102.72 2.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.61 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 1.3 t80 -102.37 -72.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.57 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 39' ' ' PHE . 1.8 pp -57.3 -21.58 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -106.76 -24.26 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.53 -51.91 5.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -153.58 -18.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 1.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 46' ' ' ASN . 10.8 m -83.26 -11.32 57.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -48.5 -11.53 0.15 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 44' ' ' THR . 32.1 t-20 42.38 38.72 1.27 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 109.886 -179.712 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' C ' ' N ' ' A' ' 49' ' ' VAL . . . 58.51 116.14 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.319 -1.113 . . . . 1.0 110.319 -179.658 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.565 ' CD1' HD21 ' A' ' 41' ' ' LEU . 6.1 mp -52.56 -10.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 1.0 109.831 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' N ' ' C ' ' A' ' 47' ' ' GLY . 4.5 m -54.41 -8.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.292 179.524 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' LEU . 93.4 mt -106.78 21.5 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.666 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 2.0 t90 -126.72 -51.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 t -76.95 -33.23 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 55' ' ' ARG . 55.6 t -59.56 -36.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -72.61 15.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.666 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -139.05 1.18 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -74.0 -58.47 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -15.89 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.517 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 102.68 52.95 0.94 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 64.9 -69.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 1.0 110.566 179.996 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.4 t-160 -154.72 115.61 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 2.0 t-80 -93.61 -161.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.635 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 12.4 t-80 -64.86 163.92 13.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -159.67 45.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.49 -179.936 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.01 73.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -51.71 140.05 19.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.53 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 14.34 63.53 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.52 99.87 0.26 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.28 -9.21 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 1.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 9.1 t80 -55.36 -12.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -3.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.497 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 11' ' ' TYR . 34.1 t30 -101.65 4.79 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 72.03 -32.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.781 -179.862 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER 66.36 -152.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 -179.916 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.16 81.08 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.63 -0.988 . . . . 1.0 110.63 179.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.16 -55.7 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.83 0.348 . . . . 1.0 110.699 -179.534 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -58.35 -30.51 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.84 -31.82 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -102.65 41.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.488 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 m -94.6 49.47 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 44.83 44.81 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.587 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.77 -64.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 48.3 mt-10 -144.34 62.93 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.512 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.4 m-85 -145.45 31.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -170.89 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.569 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -86.31 39.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.562 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 5.3 p-90 -168.55 25.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -41.51 -36.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.48 108.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -84.36 48.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.647 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 150.49 -38.55 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.24 48.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.815 0.341 . . . . 1.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.4 pt? -158.49 19.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.486 179.335 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.69 -38.29 7.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.29 179.809 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_endo -84.4 16.54 1.92 Allowed 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.289 1.993 . . . . 1.0 112.039 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -123.54 -21.39 5.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 33' ' ' ALA . 1.5 mp -105.77 -63.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -46.29 -38.22 8.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.547 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 tpp -78.01 -50.74 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.645 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' ALA . 48.2 mt -75.38 30.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.637 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 35.3 t -144.72 -22.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.601 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.1 t80 -77.94 -48.18 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.484 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.23 7.94 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.37 15.78 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 0.68 3.69 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -149.97 -50.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 1.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' THR . 6.8 m -63.93 -12.1 34.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.92 -64.03 1.35 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -159.01 -109.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 1.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.684 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -62.25 -130.42 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt 64.68 -7.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.578 0.228 . . . . 1.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.6 -29.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.853 -0.425 . . . . 1.0 109.853 179.479 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -127.18 3.9 6.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.994 178.926 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.541 ' N ' HD12 ' A' ' 50' ' ' LEU . 14.1 t90 -84.58 -81.72 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.16 -50.56 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.696 -179.881 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 39.5 t -49.37 -43.31 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -73.3 14.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 23.9 mtp85 -138.07 -25.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -72.37 -14.86 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -53.74 -22.72 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.584 179.981 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 45.73 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.9 m-70 40.08 -90.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.746 0.308 . . . . 1.0 110.749 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.2 p-80 -142.96 169.83 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 1.38 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.544 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t60 69.74 124.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.58 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -168.03 44.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t60 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.926 -1.035 . . . . 1.0 110.532 179.979 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -99.73 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 8' ' ' ASP . 18.7 mt-10 -51.06 152.08 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.549 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.0 -4.94 53.99 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -95.24 119.15 6.08 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -2.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -137.28 -27.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.631 179.922 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' OE1' ' A' ' 3' ' ' GLU . 24.5 t0 -45.28 132.8 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.629 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 37.2 p-10 -89.79 -40.52 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 82.9 m-85 -153.4 -79.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 t80 70.61 -66.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.09 30.85 1.34 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.13 -155.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 1.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 46.35 15.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 8.6 t-20 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.4 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -106.07 39.82 1.72 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 -169.72 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.47 122.99 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.04 -53.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -141.65 32.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 54.9 m-85 -137.78 27.15 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.537 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 4.6 t -172.56 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.32 46.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 15.0 p-90 -163.47 -62.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.567 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.0 mmtt 48.14 73.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.57 124.95 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -44.02 23.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.641 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -138.7 4.35 3.0 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.61 42.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -140.72 15.94 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.55 -179.968 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -77.02 -35.02 1.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 179.846 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.2 Cg_endo -86.88 12.62 2.93 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 122.383 2.055 . . . . 1.0 112.043 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -108.28 -27.8 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -112.67 -65.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -53.8 -13.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 ttm -99.47 -68.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.473 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 33' ' ' ALA . 53.9 mt -47.47 -46.65 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' GLY . 68.6 t -49.24 -32.08 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.531 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.42 -43.41 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.54 15.64 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -153.04 15.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.622 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -137.65 21.75 3.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -177.28 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -54.78 -32.43 60.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -47.22 -62.95 3.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 40.07 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 1.0 110.828 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.46 -13.28 3.74 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -84.94 -8.05 58.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 1.0 110.441 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 m -100.71 -3.56 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.636 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -135.63 1.04 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.626 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 6.5 t90 -83.64 -74.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.507 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -46.98 -46.99 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.581 179.878 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.91 -22.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.31 19.77 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.589 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 24.7 mtt85 -135.16 -31.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 10.84 39.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -60.79 -41.46 95.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.449 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . 65.41 31.95 81.98 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.413 ' CG ' ' C ' ' A' ' 58' ' ' GLY . 1.1 m-70 65.75 -158.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 1.0 110.578 -179.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -43.09 111.64 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -66.22 109.41 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.42 157.9 36.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -158.62 56.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.9 m80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.639 179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -57.99 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 1.0 110.569 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.23 -7.44 0.12 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.04 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.8 t70 -45.29 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.0 110.582 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 18.8 t-20 -99.64 27.27 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.527 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 62.99 -70.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 69.45 149.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.23 30.88 0.49 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.14 -19.76 65.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 16' ' ' GLN . 1.4 m-20 -56.99 -13.36 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -66.6 1.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 14' ' ' ASP . 23.3 mt-30 -138.89 41.76 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -140.08 165.02 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.577 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.08 89.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.3 m -139.06 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.583 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -141.22 40.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -139.68 6.22 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.0 t -138.44 -37.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -73.1 -34.31 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.55 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 1.1 p-90 -94.44 8.13 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.554 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -32.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -159.23 -74.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.04 -51.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.96 24.89 9.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.65 48.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 1.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.0 tp -172.22 -32.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.316 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -72.92 -35.47 2.91 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.412 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.24 -8.78 9.02 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.154 1.902 . . . . 1.0 112.017 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.03 -63.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -53.64 -30.9 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -82.61 -8.03 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 ttm -96.36 -31.62 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.22 -17.2 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.2 t -101.43 -3.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -75.14 -39.4 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.51 4.7 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -137.49 24.19 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 4.37 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -161.36 -57.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -50.51 -23.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.18 -75.87 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.1 m-80 -137.05 -110.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.643 0.259 . . . . 1.0 110.452 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.5 22.37 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ASN . 5.1 mt -135.9 -45.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -45.06 -17.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.1 mp -92.8 -45.18 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -50.51 -58.93 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.541 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.51 ' OG1' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -51.09 -47.3 61.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 53' ' ' VAL . 96.7 t -73.81 5.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.87 -18.5 22.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.539 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -95.51 -9.27 32.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.565 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OG1' ' A' ' 52' ' ' THR . 30.3 mttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -26.26 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.6 p90 -138.83 -34.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 13.5 t70 -47.28 91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.521 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -138.2 -41.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.568 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -65.28 -47.41 76.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.69 145.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.24 37.72 4.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.83 -96.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 1.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -22.44 39.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.561 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -50.64 -36.81 37.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.21 41.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.1 t -150.88 -162.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' SER . 40.0 t -100.63 -36.98 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.553 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -149.89 52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -138.43 10.29 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' TRP . 4.9 t -174.13 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.29 21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 33.0 p-90 -138.49 -53.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 28.8 mmtt 43.45 -94.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.561 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' TRP . 94.6 p -172.0 124.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.669 ' H ' HD11 ' A' ' 31' ' ' ILE . 5.4 t -85.8 43.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.637 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.66 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 102.12 13.4 31.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.42 30.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 1.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.22 17.36 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.382 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -88.4 -39.38 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.096 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -59.62 2.35 0.3 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.29 1.993 . . . . 1.0 112.113 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -129.5 -59.9 1.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mt -47.66 -55.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -24.72 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 ttp -74.2 -27.89 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.1 mt -78.55 -24.37 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.11 -29.48 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.588 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 41.1 t80 -69.41 -22.85 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.82 26.79 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.7 tp -172.28 51.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.69 -23.76 0.1 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -125.73 -36.75 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.904 0.383 . . . . 1.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -57.47 -30.27 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.33 -63.9 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 1.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.89 34.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' LEU . 54.7 mt -105.92 -62.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 1.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -50.49 -10.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.2 mt -102.66 -21.72 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.524 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.502 ' CD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -85.78 -55.21 4.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 8.1 t -45.99 -32.9 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.52 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.92 -31.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' TRP . 2.3 t80 -60.98 -30.7 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -85.71 -36.81 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.609 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.69 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.68 -25.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 1.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -140.46 -39.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 31.3 t70 -48.09 165.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.7 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -50.02 -46.57 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.81 -158.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.19 -30.64 0.46 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.61 -166.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -30.96 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.04 -52.43 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -95.45 46.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 t -139.7 166.07 25.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -42.18 99.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.85 -30.61 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.1 mt-10 -138.04 -41.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.612 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.59 66.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -160.74 -48.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.585 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -64.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 p-90 -66.13 -19.12 65.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 117.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p -77.73 -74.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.611 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.75 -2.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.528 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -169.63 24.83 0.1 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -105.33 -64.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 1.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.96 17.25 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.9 mm -79.88 -35.57 0.95 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.46 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.2 Cg_exo -60.16 -15.81 36.41 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.162 1.908 . . . . 1.0 111.958 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.73 -59.08 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.8 mt -54.83 -64.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -43.03 -39.69 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 mmm -63.5 -58.93 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.05 31.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 23.9 t -138.56 -21.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 1.3 t80 -83.68 -40.69 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.15 -8.72 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.05 26.94 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.58 22.36 0.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -170.03 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -101.26 -32.31 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.614 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.1 -0.48 61.71 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.17 4.78 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 1.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.72 19.49 54.49 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.2 mt -135.21 -27.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -74.09 14.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.475 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -144.74 9.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.682 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.445 ' N ' HD12 ' A' ' 50' ' ' LEU . 3.0 t90 -103.33 -52.88 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.545 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.1 t -80.56 -29.58 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.555 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.39 -40.11 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -14.58 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.633 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -102.24 5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.591 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 42.27 23.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -143.67 -5.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.5 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -46.36 124.07 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -158.81 -47.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -52.4 -44.25 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 1.8 t80 69.66 -65.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.539 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.52 -31.65 14.7 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -42.73 -28.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 1.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 11' ' ' TYR . 3.3 p30 -49.1 -17.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -50.73 -35.11 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.613 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 41.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' CYS . 64.0 m -139.74 -168.15 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 16.0 p -101.28 -37.09 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.0 mt-10 -144.92 48.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 33.5 m-85 -140.99 27.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -173.8 -34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -82.64 5.46 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.513 ' NE1' ' O ' ' A' ' 20' ' ' GLU . 7.2 p-90 -141.04 35.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 162.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -74.64 -74.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.626 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 74.37 -15.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.56 3.27 3.21 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 26' ' ' SER . . . -127.88 -7.9 5.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.631 0.253 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.3 mm? -110.96 -12.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.413 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.673 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -89.27 -39.49 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.26 -18.07 42.95 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.273 1.982 . . . . 1.0 111.933 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.92 -55.39 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' TYR . 57.7 mt -54.94 -79.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' ILE . 83.2 t80 -41.49 -44.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.3 ttm -51.88 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.67 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.5 -42.37 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.35 23.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.9 t80 -108.42 -33.69 7.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -82.63 -12.87 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.34 18.31 3.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.01 -14.9 2.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -142.66 -60.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -44.04 -26.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.587 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' HD12 ' A' ' 48' ' ' LEU . . . -69.38 -48.63 43.73 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.76 20.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 144.21 35.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.557 HD12 ' HA2' ' A' ' 45' ' ' GLY . 95.7 mt -130.52 -34.54 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 1.0 110.452 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 49' ' ' VAL . 8.1 p -87.81 -4.54 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.521 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -131.88 -3.37 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.694 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 4.4 t90 -86.19 -74.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -45.58 -46.27 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.545 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -49.74 -34.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -67.92 -22.28 65.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.522 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.694 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 17.3 mtt85 -99.05 -39.15 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -3.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 5' ' ' GLY . 12.5 p90 -151.66 29.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.599 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 15.3 p-10 -51.62 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.587 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -153.81 -42.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.58 -31.1 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' C ' ' H ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER 70.84 -66.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.543 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.33 29.87 1.18 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -61.7 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 1.0 110.503 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 47.87 12.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.532 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 13' ' ' ALA . 24.4 t30 -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.025 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.568 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -108.86 33.36 4.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.32 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -145.12 171.95 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.552 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.48 78.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.1 p -47.15 -61.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.633 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt-10 -136.9 4.1 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 62.4 m-85 -81.31 60.29 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -174.87 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -76.7 61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 26' ' ' SER . 67.4 p-90 -174.18 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.719 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.3 mmtt -39.33 91.51 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 79.26 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.466 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -92.0 42.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 154.19 -22.26 0.67 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.996 -0.841 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 42.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.97 2.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -78.88 -39.42 1.5 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.164 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.8 -5.71 3.86 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.24 1.96 . . . . 1.0 111.939 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.04 -80.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -41.72 -32.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.583 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -76.67 -51.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.75 -24.35 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.59 -9.64 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 95.4 t -93.97 -7.95 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.01 -33.18 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.492 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.22 -5.24 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.589 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.37 70.12 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -19.31 0.22 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.5 m -125.66 -37.79 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 1.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.2 t -50.34 -11.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.511 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -39.2 -94.02 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' LEU . 4.0 t-20 -156.87 -139.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 1.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.12 -7.05 1.86 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' ASN . 5.1 mt -90.61 -1.67 57.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.346 . . . . 1.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 70.3 t -99.56 -2.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.6 3.31 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.654 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.5 t90 -101.8 -79.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.456 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -67.88 -34.57 76.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.508 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.2 t -69.92 -32.45 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.62 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 74.2 t80 -74.94 21.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.59 -10.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.624 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 tptp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.557 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 6.2 t0 -70.46 13.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 13.5 m-85 -144.72 4.29 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 2.9 p30 -50.6 128.06 19.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.607 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -89.19 13.54 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 62.68 -71.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 3.0 t80 69.61 143.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.2 37.86 2.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.59 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.559 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -21.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -50.95 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -97.67 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 96.78 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 42.98 42.03 2.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 21' ' ' TYR . 22.0 p -83.69 62.61 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.582 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.7 mt-10 42.45 52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.7 p90 -143.64 25.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -144.5 -37.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 32.5 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.33 -33.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.622 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 60.29 -73.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -173.97 -74.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.0 -12.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.507 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -148.96 13.49 1.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.58 56.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -173.27 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -70.87 -39.55 8.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.24 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.42 -2.43 1.38 Allowed 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.256 1.971 . . . . 1.0 112.017 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -102.83 -59.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.539 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -57.06 -55.2 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.23 72.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.0 ttp -74.03 -33.87 63.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -40.0 94.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' GLY . 58.4 t -52.48 -34.64 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -71.88 -25.75 62.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -103.28 0.02 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.593 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.67 8.61 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -87.45 -48.69 4.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -140.68 -33.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 1.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 44' ' ' THR . 8.5 m -63.17 -12.79 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.557 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.25 -40.61 2.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -102.87 44.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 1.0 110.614 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.25 22.05 2.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.71 -9.46 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -91.73 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -140.2 8.7 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 52' ' ' THR . 23.6 t90 -96.7 -86.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.576 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 3.0 t -53.36 -37.32 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.11 -32.27 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.91 -46.76 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.71 23.32 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.393 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -44.69 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.2 p90 -140.63 45.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.23 112.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.561 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -93.62 21.13 6.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.84 -40.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.598 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.7 t80 75.12 -161.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -41.17 -30.6 0.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 -84.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 1.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m-20 -58.14 -49.38 77.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.21 -37.39 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -100.55 41.59 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -143.67 -164.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.591 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.48 87.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.518 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -145.37 100.77 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 6.6 mt-10 62.87 -0.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.669 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 1.3 m-85 -108.05 26.03 10.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.567 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -174.09 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.587 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -72.7 53.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 34.8 p-90 -172.32 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -41.32 99.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 74.48 101.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.567 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -66.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.656 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.22 -29.72 59.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.27 44.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 1.0 110.666 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 18.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.697 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.605 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -71.75 -38.74 6.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.195 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -86.86 14.85 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.499 2.133 . . . . 1.0 112.071 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -115.84 -31.4 5.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -106.45 -37.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -75.95 -29.61 58.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 38' ' ' VAL . 15.5 mmm -85.09 -46.95 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 33' ' ' ALA . 41.3 mt -75.32 28.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 41.4 t -143.09 -9.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.54 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -90.36 -35.25 15.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -101.14 5.45 42.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.598 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.8 mt -143.65 15.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 -0.21 3.85 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 -63.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 1.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -47.2 -22.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.51 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.43 -64.43 2.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.56 HD22 ' C ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -107.26 -128.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 1.0 110.675 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.511 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 40.74 39.59 1.9 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.91 -10.25 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 1.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.68 11.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.559 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -136.92 4.5 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.549 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -97.97 -68.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.591 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -47.51 -46.36 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -43.44 -26.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -82.32 -38.46 24.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 1.5 mpt_? -71.55 -35.43 70.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.532 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.526 0.723 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 41.82 22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 1.0 110.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 46.84 46.95 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.572 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -51.06 161.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -81.73 2.75 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.562 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 65.01 -69.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.55 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.503 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 -53.84 1.56 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 44.21 35.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 1.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 45.38 17.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.7 t30 -70.65 -39.3 73.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.75 41.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.7 139.2 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 40.34 35.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.74 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 5.7 t -102.34 91.09 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 8.6 mt-10 58.07 21.81 8.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 50.7 m-85 -101.1 13.21 35.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.88 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.524 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.41 40.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.2 p-90 -160.31 -41.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.5 mmtt 41.85 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' TRP . 12.7 p -172.6 126.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.0 p -102.3 53.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.609 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.659 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.66 -26.02 2.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.8 41.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 1.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.06 13.02 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.6 mp -79.72 -34.5 0.88 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.509 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.0 Cg_exo -59.5 -32.5 96.39 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.046 1.83 . . . . 1.0 111.977 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.71 -61.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.3 mt -53.42 -32.69 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 31.4 t80 -77.78 -16.22 58.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -88.07 -43.01 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.552 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -74.84 20.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 77.9 t -142.42 -15.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 9.3 t80 -78.27 -14.36 59.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.96 -9.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.526 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -138.2 62.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.86 -25.77 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.14 -47.23 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.0 110.307 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -45.88 -31.62 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.15 -83.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.06 16.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.65 38.91 3.16 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -100.75 -5.63 26.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 49' ' ' VAL . 74.1 t -100.14 -3.23 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 8.07 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.491 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.7 t90 -92.57 -78.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.573 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.11 -32.69 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.32 -30.28 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.63 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.61 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -71.84 -9.23 58.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.623 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mptt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.44 20.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 1.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' GLY . 4.1 m-85 -155.95 123.45 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.35 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -99.45 -0.79 40.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 67.58 -66.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t80 79.17 102.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 71.48 -59.11 1.21 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.57 -84.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 1.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -53.18 -38.95 63.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -42.56 -37.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.39 41.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.58 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ASP . 43.8 t -138.74 169.9 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 1.9 mp0 -57.11 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.53 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.43 30.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.459 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.4 mt-10 -144.57 -36.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 75.6 m-85 -89.59 5.46 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.1 p -142.32 -35.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.9 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 12.3 p-90 -106.55 -68.85 0.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.037 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.52 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.692 0.282 . . . . 1.0 110.847 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -101.59 91.82 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 m -73.0 37.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.597 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 127.76 5.63 5.3 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.59 34.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 31' ' ' ILE . 4.3 mm? -101.32 16.76 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.37 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -39.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.279 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.0 Cg_exo -58.67 -16.95 33.03 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.215 1.943 . . . . 1.0 112.043 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.55 -69.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mt -43.26 -45.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.87 -38.91 87.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 ttm -64.21 -52.67 57.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.61 -57.56 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.4 t -44.51 -26.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.59 -45.93 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.88 -4.47 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.63 16.23 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -138.65 8.48 3.38 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.9 m -155.97 -53.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 1.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -28.05 68.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.52 -61.97 3.04 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.14 14.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -84.07 11.74 56.48 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.08 2.59 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 1.0 110.591 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 49' ' ' VAL . 80.3 t -93.13 -0.77 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.531 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.94 -34.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 17.9 t90 -49.46 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.66 -43.36 2.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.602 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -51.15 -37.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.23 -42.95 92.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -101.2 22.81 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.381 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.41 -38.7 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -151.52 17.45 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -56.25 133.76 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.619 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.528 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -85.67 21.38 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.526 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.9 m-85 62.77 -71.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 69.4 t80 49.66 -87.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.6 48.6 1.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -80.34 -69.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 1.0 110.607 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.67 -17.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ALA . 21.0 t-20 -61.12 -37.01 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.23 41.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' CYS . 43.6 t -144.47 127.68 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -43.24 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.514 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.4 t -94.71 -54.16 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.69 27.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 22.0 p90 -137.64 50.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 t -173.57 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -5.27 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.5 p-90 -140.22 -70.84 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 48.93 100.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.57 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.2 p -151.63 80.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -77.95 46.02 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 138.59 -5.58 3.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 69.42 50.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 1.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 20.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.526 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.8 mm -80.77 -35.77 0.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.468 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.2 Cg_exo -59.75 -17.98 45.98 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.13 1.887 . . . . 1.0 111.99 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.21 -58.27 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.528 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.9 mt -51.45 -30.41 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.635 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -79.9 -30.89 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.27 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.73 -17.21 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 34' ' ' ILE . 99.5 t -92.96 -7.16 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.13 -32.14 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -5.64 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.18 75.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.96 -14.97 0.59 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.459 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -131.72 -37.62 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.769 0.319 . . . . 1.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -48.5 -13.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.529 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -66.66 -81.14 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.529 HD22 ' C ' ' A' ' 45' ' ' GLY . 2.3 m-80 -138.27 57.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.713 0.292 . . . . 1.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.56 -23.87 4.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.8 pp -103.46 -18.46 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.692 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 HD23 ' A' ' 50' ' ' LEU . 32.8 m -54.02 -7.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.496 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.2 mt -89.85 2.86 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.491 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -111.46 -36.46 5.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.52 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -78.06 -48.55 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.455 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.3 t -41.78 -33.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.77 -41.66 97.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.6 mtt-85 -78.94 -43.5 24.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.616 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.652 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.461 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 16.6 t70 -63.93 3.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 1.0 110.685 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -172.12 87.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.675 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.0 122.48 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.615 ' ND2' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.2 -41.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.615 ' CE2' ' ND2' ' A' ' 9' ' ' ASN . 85.2 m-85 -156.44 -80.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.0 t80 62.0 -72.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -83.12 -49.24 5.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . 43.11 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 1.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -58.02 -7.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.521 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.4 -64.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -97.88 47.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 18' ' ' GLU . 5.8 t -139.58 45.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 17' ' ' SER . 2.0 mt-10 40.3 94.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.757 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -101.51 38.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.5 42.92 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.523 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 12.6 p90 -137.82 33.92 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.91 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -32.83 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -83.19 -0.14 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.92 108.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.16 83.35 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -69.03 -31.7 70.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -139.49 6.31 2.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 74.95 37.13 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.0 4.3 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.55 -41.01 4.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.6 Cg_exo -57.77 -6.44 2.49 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.218 1.946 . . . . 1.0 112.044 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.59 -60.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.58 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.62 -33.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.05 77.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.6 tmm? -70.92 -36.08 72.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 11.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.2 t -137.99 7.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -95.26 -54.17 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -68.29 -2.79 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.558 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mt -126.05 -19.63 4.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.638 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.26 33.73 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.44 -40.56 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 1.0 110.546 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -74.36 -5.08 40.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.5 -17.38 24.21 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -137.85 -44.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 1.0 110.628 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.618 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.59 71.68 0.11 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' ASN . 3.8 mt -147.76 -17.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 1.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.3 p -94.59 -3.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 pp -136.53 2.34 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 52' ' ' THR . 9.0 t90 -92.6 -74.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 2.8 t -52.78 -37.41 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.481 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -48.31 -37.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.517 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -72.93 -19.58 61.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.8 mpt_? -92.52 -34.62 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.578 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.36 36.78 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 1.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -144.57 -3.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 141.78 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.607 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -139.65 6.93 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.557 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.97 -40.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.3 t80 76.82 125.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.28 42.54 82.83 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -94.05 -29.78 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 1.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -50.74 -25.45 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.91 -38.68 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.58 41.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' CYS . 97.8 p -102.94 -167.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 86.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' SER . 13.5 t -137.58 -54.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 77.0 mt-10 -137.81 4.17 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -101.47 -0.11 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 p -143.68 -36.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.74 -31.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 21.6 p-90 -101.46 -57.53 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.595 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.8 94.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HG ' ' HZ3' ' A' ' 24' ' ' TRP . 54.1 p -145.18 113.04 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.558 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.4 m -92.96 15.71 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -168.35 -34.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.36 44.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.46 18.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.689 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.617 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.41 -38.96 9.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.078 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.91 -9.03 8.84 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.197 1.932 . . . . 1.0 111.794 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.35 -58.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.7 mt -53.95 -28.57 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' VAL . 43.3 t80 -81.64 -70.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.656 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 7.6 ptm -43.0 -25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.64 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 35' ' ' TYR . 5.2 mt -68.54 -43.41 76.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.2 t -59.47 -31.06 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.2 t80 -67.13 -21.64 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 mt -108.25 -26.54 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -102.09 -3.57 27.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.461 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -67.17 -53.11 27.76 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -138.07 -36.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 1.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.87 -31.72 70.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.63 24.46 3.19 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -157.77 119.56 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 1.0 110.494 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.55 34.91 5.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.38 -34.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 1.0 110.594 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.1 p -82.08 -2.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.64 -0.14 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.662 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.9 t90 -101.96 -83.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.4 t -59.75 -13.57 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.62 -48.34 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -39.44 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.56 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -80.01 -33.79 38.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tptm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.553 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -57.77 80.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' GLY . 95.2 m-85 -156.73 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t0 43.39 20.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 4.5 t-20 -140.06 28.6 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.88 -71.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.09 -65.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.581 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.11 35.57 1.08 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -93.79 -100.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 1.0 110.59 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.48 -18.33 6.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -54.91 -41.44 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -99.82 41.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -138.77 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.14 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' SER . 45.1 t -86.89 -45.26 11.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 11.5 mt-10 -138.91 52.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 48.6 m-85 -138.39 7.58 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.42 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 12.9 t -172.19 -34.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 15.4 p-10 -88.82 59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 18.6 p-90 -171.1 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 47.56 14.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.581 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.43 106.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.512 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.466 ' OG ' HD13 ' A' ' 31' ' ' ILE . 55.8 p -71.38 0.6 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.644 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.59 52.86 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.6 25.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.744 0.307 . . . . 1.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -110.03 -25.62 10.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.68 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -66.7 -40.45 31.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_exo -57.82 -29.85 87.41 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.216 1.944 . . . . 1.0 112.0 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -66.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -53.5 -32.07 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.97 -21.64 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' VAL . 35.5 ttp -81.92 -39.72 23.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.57 13.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' MET . 22.7 t -137.5 -19.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.631 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -72.26 -39.88 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.325 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 -12.78 15.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.36 67.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.91 -19.12 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.467 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.4 m -123.22 -40.77 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 t -47.62 -15.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 43' ' ' THR . . . -41.2 -93.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' LEU . 23.5 m120 -138.45 -104.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 1.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.87 23.11 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' ASN . 9.3 mt -133.16 -17.34 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 1.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -79.48 9.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 11.69 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.631 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.76 -58.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.623 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.7 t -76.72 -32.29 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.396 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.49 -29.11 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.97 31.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -139.95 -19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.561 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.74 2.46 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 1.0 110.611 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -102.26 -27.68 12.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.617 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.3 135.38 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' TYR . 8.2 p-10 -95.68 19.43 11.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 3.0 m-85 70.8 -40.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.5 t80 69.24 -150.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -41.29 -50.29 4.54 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 71.7 -42.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 1.0 110.617 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.2 m-20 -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.89 -37.12 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.552 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.43 43.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' CYS . 16.1 m -138.69 -169.77 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.557 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.8 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.8 p -85.13 87.08 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 68.47 24.05 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.669 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.89 -1.7 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 23' ' ' ASP . 8.8 t -172.84 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' HG23 ' A' ' 22' ' ' THR . 44.7 t0 -74.82 63.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 16.0 p-90 -161.92 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 24' ' ' TRP . 5.8 ptpt -39.84 132.92 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -71.88 -73.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.486 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.98 -15.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -142.87 7.72 2.18 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -101.36 -62.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.98 -0.27 36.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -73.35 -40.59 5.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.4 Cg_exo -57.65 -14.97 18.84 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.234 1.956 . . . . 1.0 112.025 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.75 -65.85 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.46 -42.36 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.98 -46.81 68.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.62 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttm -59.54 -26.47 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -85.51 -29.1 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 38' ' ' VAL . 94.4 t -91.68 7.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.502 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -96.61 -36.79 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.552 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.34 -4.61 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.44 5.47 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.18 -43.83 5.51 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -139.39 -40.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 1.0 110.616 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m -55.64 -34.8 65.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.39 -23.97 0.33 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.45 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -138.85 6.09 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.711 0.291 . . . . 1.0 110.499 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.53 7.16 81.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' LEU . 5.6 mt -100.42 -24.98 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 46' ' ' ASN . 4.8 m -70.85 11.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.514 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' LEU . 32.3 mt -115.79 -46.05 2.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.647 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 3.9 t90 -84.96 -29.4 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 55' ' ' ARG . 12.0 m -81.09 -51.21 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.75 -26.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -94.96 29.04 2.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.647 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.8 mtt85 -141.67 -20.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -70.97 40.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 1.0 110.699 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER 57.36 28.7 15.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t0 42.05 90.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.583 ' ND2' ' CD2' ' A' ' 10' ' ' TYR . 2.7 p-10 -65.88 -55.6 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 75.9 m-85 -55.57 -56.07 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 44.62 -96.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -61.87 -63.67 4.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 72.37 -45.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 1.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.0 m-20 -58.06 -4.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -80.01 1.16 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -139.09 42.04 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -100.59 101.17 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 43.46 41.79 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.42 50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 53.47 60.81 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.612 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -150.72 23.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.526 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -167.08 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -11.48 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.586 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.4 p-90 -149.68 -68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 19.1 mmtt 41.92 71.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.0 p -169.39 125.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.02 16.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.503 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 134.13 0.51 3.8 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.17 52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 1.0 110.725 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.836 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -138.68 30.72 2.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.553 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -78.57 -39.17 1.58 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.851 179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.7 Cg_endo -86.27 24.33 0.76 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.503 2.135 . . . . 1.0 111.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.25 -33.38 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.0 mt -105.58 -48.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 39.3 t80 -74.26 -6.21 46.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.427 ' C ' ' H ' ' A' ' 38' ' ' VAL . 41.5 ttm -102.22 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.69 -8.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.563 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 93.2 t -102.28 -14.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.65 -33.58 75.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.538 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.76 -4.71 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -136.81 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.6 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.29 -31.19 0.04 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.97 -46.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 1.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -41.71 -34.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.551 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.32 -78.25 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -154.58 17.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.21 36.8 3.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -101.41 4.38 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 1.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.18 -29.34 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.66 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.17 11.9 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.648 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 3.0 t90 -97.38 -80.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.7 t -51.57 -31.14 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.313 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.78 -23.05 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -64.99 -27.48 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.678 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -65.64 -34.21 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.52 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 41.75 31.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 8' ' ' ASP . 82.5 t80 -167.3 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 9.5 t70 41.86 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.6 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p30 -69.56 9.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CE1' ' O ' ' A' ' 8' ' ' ASP . 0.8 OUTLIER 68.91 -65.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.538 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 58.93 149.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 41.11 30.45 0.42 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.9 -19.96 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 1.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -55.58 -22.75 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -48.15 -44.15 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.35 43.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.79 132.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.81 100.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 44.2 t -98.44 -5.27 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' THR . 13.2 mt-10 -145.5 -53.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.582 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -65.65 68.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.2 t -173.51 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -10.37 59.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.629 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.3 p-90 -141.5 -52.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.61 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 39.13 49.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p 79.78 123.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -86.27 52.84 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.78 -17.52 2.4 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.41 41.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 1.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.36 -1.89 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.87 -38.81 5.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.171 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 56.0 Cg_endo -86.67 8.46 4.42 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.467 2.111 . . . . 1.0 111.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -110.4 -26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 51.4 mt -111.65 -35.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.584 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -81.72 -22.11 37.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 tpp -88.72 -56.58 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.648 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 33' ' ' ALA . 43.8 mt -57.56 -17.13 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.586 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.3 t -100.8 1.77 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -100.92 -18.34 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -102.44 -7.75 21.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.01 10.07 3.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.59 -41.0 4.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 44' ' ' THR . 15.2 t -138.51 -43.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 1.0 110.572 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.553 ' N ' HG23 ' A' ' 43' ' ' THR . 4.6 m -54.08 -17.22 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.525 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.49 93.55 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -159.07 114.96 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.26 -20.55 2.45 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -89.79 -32.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 1.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 11.8 p -75.42 24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.479 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' LEU . 2.0 mt -134.42 -44.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.488 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CZ3' ' OG1' ' A' ' 52' ' ' THR . 3.0 t90 -86.8 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.34 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.513 ' OG1' ' CZ3' ' A' ' 51' ' ' TRP . 4.5 m -45.72 -17.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.502 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' N ' ' C ' ' A' ' 51' ' ' TRP . 5.6 t -82.48 -33.96 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' TRP . 7.2 t80 -45.97 -43.41 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.53 -38.23 22.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.517 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 8' ' ' ASP . 13.2 t0 -70.88 40.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 1.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' GLY . 25.5 m-85 47.63 16.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.572 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 6' ' ' ASP . 3.3 t70 -45.87 124.77 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 19.2 t30 -149.53 22.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 68.03 -66.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.566 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 64.59 141.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.49 40.32 2.74 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.57 -22.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.09 -22.93 43.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -34.75 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.09 41.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' CYS . 7.5 t -102.22 -172.1 2.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -58.75 78.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.515 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 79.2 m -147.68 71.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 66.55 31.0 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 60.5 m-85 -131.0 45.51 2.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.505 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -171.39 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.595 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.21 14.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' THR . 12.0 p-90 -138.36 6.04 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.6 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 125.03 11.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.627 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.31 -62.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.501 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 77.42 -3.88 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.659 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.53 35.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 26' ' ' SER . . . -115.84 -57.52 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.782 0.325 . . . . 1.0 110.533 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.97 -6.04 21.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.652 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.08 -38.73 11.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.14 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -87.05 8.29 4.44 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.44 2.093 . . . . 1.0 111.766 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -112.67 -12.07 13.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.32 -63.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -59.91 -12.19 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.587 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.7 ttp -99.9 -45.67 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.561 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' ALA . 19.5 mt -71.77 13.41 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 93.8 t -131.69 -13.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.59 -29.37 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -5.67 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.298 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.55 73.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -19.06 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.584 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -136.25 -46.98 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 43' ' ' THR . 1.8 m -46.8 -32.32 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.02 27.31 0.72 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -141.51 75.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 1.0 110.625 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.43 -40.07 0.18 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 mm? -69.84 -174.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.587 0.232 . . . . 1.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.2 p 38.92 22.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.769 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mt -138.96 -35.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -101.02 -45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.406 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -67.48 -12.37 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.8 t -76.91 -37.78 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.722 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -74.16 19.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.492 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.6 mtp85 -130.51 -20.1 2.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.643 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 43.99 21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' GLY . 39.9 m-85 41.93 61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' OD1' ' CD1' ' A' ' 11' ' ' TYR . 23.5 t70 -59.21 134.31 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.637 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.646 HD21 ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -154.68 -36.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.592 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' ALA . 37.8 m-85 -42.22 -26.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CD1' ' OD1' ' A' ' 8' ' ' ASP . 3.3 m-85 -37.57 -71.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -51.44 -25.17 12.47 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 41.12 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 1.0 110.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -51.76 -25.04 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -44.86 -34.34 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.646 ' NE2' HD21 ' A' ' 9' ' ' ASN . 3.5 mt-30 -101.68 41.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -139.01 -168.96 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -42.31 101.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 20' ' ' GLU . 8.3 t -152.68 -63.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 63.6 mm-40 -137.86 11.18 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.561 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 64.6 m-85 -98.34 14.46 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.62 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 23' ' ' ASP . 10.2 t -171.81 -37.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.509 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 22' ' ' THR . 1.4 m-20 -73.44 45.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.649 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.2 p-90 -157.17 -59.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.2 mttt 42.07 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.622 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . 68.9 m -94.66 -75.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER 71.29 -12.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -146.57 12.34 1.54 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -134.81 1.35 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.709 0.29 . . . . 1.0 110.641 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 29' ' ' ALA . 2.5 mp -125.0 -19.51 5.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -90.41 -39.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.196 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 59.6 Cg_endo -86.63 17.46 1.75 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.406 2.07 . . . . 1.0 112.155 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.19 3.1 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.514 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.8 -45.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -26.38 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.4 ttp -81.47 -36.29 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LEU . 14.1 mt -75.4 31.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.596 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 92.1 t -139.3 -26.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.0 t80 -68.75 -22.17 64.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.424 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 -1.84 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' LEU . 32.0 tp -147.09 70.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.63 -24.58 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -139.86 -29.94 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.356 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' THR . 10.5 m -64.31 -9.6 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.12 -41.6 2.82 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 1.9 t30 -104.28 -9.61 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.74 0.305 . . . . 1.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' HD11 ' A' ' 50' ' ' LEU . . . -72.91 37.09 0.74 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -98.83 -4.02 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 1.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -30.72 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -95.67 4.82 52.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 1.0 110.508 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.706 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 6.2 t90 -92.37 -70.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.471 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.15 -46.6 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.564 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.98 -41.28 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.566 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -51.46 -43.5 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.706 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 1.1 mpt_? -65.74 -29.94 70.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 mptt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.559 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.88 40.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 1.0 110.73 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.485 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -160.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.553 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.36 104.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.573 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.41 23.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 67.8 -66.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.552 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.2 t80 67.22 131.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 48.4 5.09 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.81 -23.85 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.586 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -55.13 -32.42 62.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.622 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.56 -44.47 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -95.64 42.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' CYS . 8.8 t -140.38 -165.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -41.63 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.9 t -148.56 86.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 40.4 mm-40 60.19 8.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 67.4 m-85 -101.49 41.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.51 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 175.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.591 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -11.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 17.1 p-90 -150.52 -48.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.74 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER 41.21 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.598 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 8.0 m -166.33 119.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.625 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.825 ' H ' HD13 ' A' ' 31' ' ' ILE . 26.3 t -75.56 2.46 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.88 38.21 0.13 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.61 15.73 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 1.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.82 1.7 37.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.601 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.825 HD13 ' H ' ' A' ' 27' ' ' SER . 1.1 mp -74.78 -40.19 3.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.3 Cg_exo -57.95 -34.79 98.79 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.19 1.927 . . . . 1.0 112.04 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.92 -64.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.78 -32.71 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 24.2 t80 -77.67 -26.17 50.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.485 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.4 ttm -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -75.19 24.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 38' ' ' VAL . 52.1 t -143.5 21.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.388 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -108.73 -40.7 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.213 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.59 -2.49 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.326 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.05 -23.49 3.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.62 -25.98 70.64 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -61.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 1.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -48.53 -27.76 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.442 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.44 75.19 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 41.94 89.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 1.0 110.511 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.07 -31.04 2.59 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -59.75 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 1.0 110.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.52 -17.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.95 -4.63 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -92.37 -55.88 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.542 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.36 -47.51 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.596 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.63 -28.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -54.87 -36.65 65.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -94.31 -37.3 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.554 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.696 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 t70 48.31 12.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 1.0 110.797 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 2.9 p90 177.29 17.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -154.06 35.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.481 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 6.4 m-85 64.91 -69.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.609 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.7 t80 76.09 101.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.43 -54.98 1.58 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 46.84 41.96 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 45.4 22.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.1 t30 -95.39 -28.21 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -137.66 42.45 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.4 t -142.61 -165.97 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -53.06 88.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' SER . 41.0 t -90.1 -58.25 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.88 3.31 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -86.12 56.19 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.9 p -147.41 -36.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -71.25 -65.52 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 11.8 p-90 -72.58 49.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.706 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 0.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.528 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 24' ' ' TRP . 8.6 m -168.8 113.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -3.73 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 131.45 33.41 0.45 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.54 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 1.0 110.438 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.38 17.11 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -77.6 -33.81 1.08 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.777 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.4 Cg_exo -59.3 2.34 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.03 1.82 . . . . 1.0 112.16 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.98 -48.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.678 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.19 -71.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -48.64 -31.29 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -68.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.71 47.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.96 -30.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 2.2 t80 -86.2 -33.74 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.86 8.55 11.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.49 9.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.9 -31.39 5.41 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 44' ' ' THR . 9.3 t -139.76 -46.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 1.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.578 ' N ' HG23 ' A' ' 43' ' ' THR . 2.3 m -56.68 -36.94 70.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.1 -40.57 7.34 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.21 104.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 1.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 50' ' ' LEU . . . 160.94 42.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.97 -27.01 6.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.852 0.358 . . . . 1.0 110.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -77.48 13.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.523 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -142.31 6.3 1.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.705 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.85 -60.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.461 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 53' ' ' VAL . 9.0 t -66.42 -45.62 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 52' ' ' THR . 24.0 t -47.09 -20.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.57 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -72.12 -66.45 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.708 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -48.04 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.478 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -4.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 9' ' ' ASN . 34.9 t80 -60.4 -38.95 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -74.61 25.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 7' ' ' PHE . 15.3 p-10 -60.19 -23.87 64.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -141.14 -59.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 t80 62.83 137.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.76 31.25 57.83 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -83.46 -40.96 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 1.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -57.74 -5.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' ALA . 2.8 m120 -55.94 -39.58 71.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.03 42.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -156.02 -166.14 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.88 88.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' SER . 42.0 t -101.09 -47.99 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -143.24 54.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.554 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -142.85 19.35 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -174.13 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -16.25 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 9.0 p-90 -99.95 26.27 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.11 146.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -101.15 90.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.487 ' OG ' HD13 ' A' ' 31' ' ' ILE . 99.2 p -54.72 -12.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.518 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.35 62.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.27 39.65 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 1.0 110.557 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.55 -24.25 3.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mp -67.29 -40.09 24.99 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.86 -38.14 93.67 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.248 1.966 . . . . 1.0 111.966 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.9 mt -54.98 -38.42 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.522 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 3.9 t80 -70.73 -34.24 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.51 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.1 mmm -65.22 -54.03 35.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.16 -18.84 65.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.5 t -102.05 -10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 t80 -68.5 -33.62 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.487 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 -4.58 26.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.508 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.23 58.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.67 -30.64 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -128.38 -47.06 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.853 0.359 . . . . 1.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -41.73 -29.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.51 -74.1 0.37 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 t30 40.47 91.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 1.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 145.53 -25.41 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -108.58 0.25 20.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.799 0.333 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m -101.57 29.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -161.77 -33.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -86.32 -76.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.805 -179.698 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.2 t -53.81 -11.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.688 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.1 t -90.8 -21.0 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -59.54 -25.0 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.698 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -19.18 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.628 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.614 179.952 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.636 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -5.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 1.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -54.83 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.602 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.61 132.25 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -99.78 -36.3 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.48 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -90.13 -79.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.594 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.75 150.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' OD1' ' A' ' 15' ' ' ASN . . . 41.22 32.94 0.72 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.68 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.02 -10.25 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 12' ' ' GLY . 16.9 m120 -61.08 -33.98 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.4 41.43 1.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.51 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' CYS . 36.3 m -101.82 -170.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.494 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.56 80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -148.11 -37.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.22 24.79 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 78.6 m-85 -140.45 28.63 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -164.96 -35.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.53 -76.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.7 p-90 -41.93 -49.17 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 39.13 -90.65 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.986 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.565 ' OG ' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -97.67 -70.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.53 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.72 -16.43 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.657 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.51 4.4 3.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -125.71 -24.09 3.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.637 0.256 . . . . 1.0 110.745 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 29' ' ' ALA . 4.3 mm? -114.64 -26.36 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.316 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -75.28 -33.87 1.51 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.699 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.3 Cg_exo -60.07 3.45 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.019 1.813 . . . . 1.0 112.194 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -135.3 -70.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.721 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mt -41.26 -21.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' ALA . 82.7 t80 -83.74 -38.63 21.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 tpp -63.26 -44.9 93.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.38 -28.41 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.3 t -100.49 -6.6 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' TYR . 86.2 t80 -67.86 -34.26 76.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -5.56 24.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.14 68.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -27.16 0.08 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 t -137.93 -21.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' THR . 8.6 m -75.73 -11.46 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.94 -15.23 58.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.84 6.73 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 1.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -91.39 7.08 80.64 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 50' ' ' LEU . 70.6 mt -100.43 -36.6 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -53.41 -8.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.53 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.4 mt -102.85 -51.98 3.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' A' ' 53' ' ' VAL . 1.2 t90 -80.71 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 52' ' ' THR . 20.6 m -51.21 -10.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.493 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 51' ' ' TRP . 5.3 t -100.18 -29.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.9 -11.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -102.05 -18.93 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.495 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -4.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 1.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.1 m-85 -55.84 -73.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -42.46 126.52 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -153.43 -38.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -89.78 -65.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.531 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 72.8 t80 51.27 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -63.41 -55.78 23.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 50.74 -173.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 1.0 110.508 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -50.67 -31.05 15.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -53.95 -35.68 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.87 53.55 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' GLU . 16.8 t -155.72 115.24 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 10.0 pt-20 33.1 48.9 0.16 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.447 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 1.7 t -72.56 -77.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.533 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 66.8 mt-10 -142.93 21.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.614 ' CA ' ' HE1' ' A' ' 24' ' ' TRP . 80.8 m-85 -107.62 -16.58 14.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.0 p -133.72 -32.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.714 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.6 -20.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.783 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HE1' ' CA ' ' A' ' 21' ' ' TYR . 1.3 p-90 -103.76 -96.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 31.3 mttm 55.73 18.86 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.628 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 1.3 m 163.04 136.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.601 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.8 p -79.17 55.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.612 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.25 -17.25 2.51 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.131 -0.787 . . . . 1.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.5 23.93 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 1.0 110.667 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -107.1 -10.72 15.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.672 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -75.35 -38.9 2.92 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.182 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.7 -12.57 22.08 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 111.762 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -52.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.503 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.2 mt -63.07 -52.08 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -52.88 -28.29 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.58 -64.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.586 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -72.25 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 18.3 t -137.33 -21.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -38.67 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.504 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.55 2.74 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.72 -34.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.01 -43.08 16.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 44' ' ' THR . 8.3 t -148.68 -47.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 1.0 110.606 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.589 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -57.03 -10.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -59.59 -27.6 63.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 16.6 m-80 -156.9 -64.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.594 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 126.35 9.12 4.66 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? 45.03 16.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 1.0 110.571 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' GLY . 1.8 p -112.63 -27.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.17 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -105.09 -0.77 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.608 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 14.4 t90 -80.92 -85.95 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.519 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.43 -47.6 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -47.1 -53.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -33.11 54.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.522 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.608 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 14.7 mtt-85 -82.73 -32.25 28.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.558 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.536 -179.972 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 2.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.322 . . . . 1.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 t80 -102.56 -21.53 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.551 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.43 123.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.599 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -138.85 -37.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 80.5 m-85 -42.39 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 86.9 t80 52.45 -90.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -44.69 -54.08 6.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 43.13 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 1.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.42 -20.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -70.76 0.69 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -138.15 42.13 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -138.71 142.19 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 44.54 45.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.609 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -138.25 -43.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.63 8.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' HG22 ' A' ' 22' ' ' THR . 6.8 m-85 -97.4 70.29 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -173.4 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.63 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.04 9.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.592 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.5 p-90 -141.87 -44.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 11.1 mmtp 52.31 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.645 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 57.7 p -101.54 -69.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 1.3 m 51.77 17.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.25 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -131.52 -42.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.691 0.281 . . . . 1.0 110.712 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -103.41 -17.6 15.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -62.71 -40.27 62.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.781 -0.367 . . . . 1.0 111.026 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 3.9 Cg_exo -70.86 29.28 0.21 Allowed 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.297 1.998 . . . . 1.0 111.892 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -141.7 -45.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.788 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.93 -19.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -90.1 -30.29 17.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.412 179.728 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.492 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 1.1 ppp? -86.4 -23.87 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.481 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.93 -24.93 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -78.82 -8.83 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.31 -41.95 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 0.17 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.611 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.61 31.17 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.51 2.77 3.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.8 m -166.39 -50.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 1.0 110.357 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -56.89 -4.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.363 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -38.8 -75.66 0.09 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.92 130.47 0.4 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.802 0.334 . . . . 1.0 110.727 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 -39.13 3.0 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.838 0.351 . . . . 1.0 110.423 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.36 8.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.583 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -127.39 -0.01 6.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -97.44 -72.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.66 -46.97 58.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.556 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 53' ' ' VAL . 95.1 t -56.21 -6.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 52' ' ' THR . 11.8 t80 -100.36 7.69 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -166.64 81.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.564 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.538 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . . . . . . 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER 44.31 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.535 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.28 -7.94 0.12 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.064 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -50.42 139.23 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 1.0 110.621 179.795 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' TYR . 3.2 t30 -143.22 9.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 m-85 70.83 -40.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 61.94 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.528 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -68.37 -63.17 3.7 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.34 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.632 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -51.1 -20.13 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.0 -39.09 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -99.19 41.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' GLU . 2.4 t -141.42 125.6 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.8 pt-20 33.11 48.08 0.14 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.377 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 51.53 69.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 3.1 p90 -141.0 7.55 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.9 t -156.48 -37.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 22' ' ' THR . 1.2 t70 -64.57 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 7.3 p-90 -93.04 8.77 38.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.534 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.08 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 93.44 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -52.12 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.53 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -99.82 -15.91 30.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.18 48.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.342 . . . . 1.0 110.713 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.5 19.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.774 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.8 mp -74.02 -34.36 2.02 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.491 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.8 Cg_endo -87.14 9.51 3.91 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 122.306 2.004 . . . . 1.0 112.02 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.85 -58.18 2.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 73.4 mt -74.49 -43.6 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -69.78 -18.45 63.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 36.7 ttm -92.88 -59.42 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.614 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 5.1 t -138.52 -36.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.524 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -67.75 -19.15 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.03 16.83 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.494 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.67 50.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.626 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 -26.76 0.08 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -123.91 -47.35 1.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -42.6 -30.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.51 -88.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -159.14 97.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 1.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.47 66.74 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.44 -29.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 1.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.46 17.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -147.14 11.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.607 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.42 -65.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.556 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.6 t -75.68 -34.42 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.24 -31.53 53.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -12.31 59.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.528 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 19.2 mtp180 -94.99 13.51 24.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.593 179.999 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.21 4.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 1.0 110.646 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -77.67 -75.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.524 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.71 111.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' TYR . 16.7 p-10 -101.81 10.74 39.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' TYR . 4.3 m-85 67.94 -66.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t80 56.06 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 40.82 26.62 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -63.47 -27.46 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.825 0.345 . . . . 1.0 110.594 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.15 -7.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t-20 -66.21 -39.29 89.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.508 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -100.15 41.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' CYS . 5.7 t -92.42 -162.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.29 40.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.659 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.486 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.2 p -70.36 -59.43 2.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.524 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.0 mm-40 -127.98 -27.7 2.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.624 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -72.7 54.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.89 -48.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -62.98 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -59.59 -19.78 51.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -41.72 126.68 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 3.3 m -73.34 -73.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.18 -17.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.523 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -135.51 2.31 3.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 26' ' ' SER . . . -129.18 -6.4 4.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.655 0.264 . . . . 1.0 110.638 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.6 mm? -111.05 -11.57 14.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -38.93 0.42 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.407 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.9 Cg_endo -82.38 28.12 0.58 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.228 1.952 . . . . 1.0 111.895 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.98 -51.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.276 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.16 -58.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.39 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -49.89 -23.8 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.4 179.913 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.484 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 7.6 ttm -89.51 -44.94 9.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.488 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.22 -16.44 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.445 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.0 t -102.23 -7.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 43' ' ' THR . 83.9 t80 -65.96 -28.71 69.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.4 -5.39 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.486 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -135.16 76.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.87 -14.18 0.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 44' ' ' THR . 7.8 t -135.29 -48.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.571 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.597 ' N ' HG23 ' A' ' 43' ' ' THR . 1.6 m -54.76 -28.48 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.38 50.91 0.08 OUTLIER Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -63.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' C ' HD22 ' A' ' 48' ' ' LEU . . . -146.0 36.89 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' C ' ' A' ' 47' ' ' GLY . 4.1 mm? -103.93 -13.09 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 1.0 110.573 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.1 m -97.53 16.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.896 -179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -143.13 7.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.611 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 52' ' ' THR . 6.4 t90 -103.72 -80.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.522 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -65.29 -35.01 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.556 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.37 -21.28 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -78.99 -13.56 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 27.1 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.326 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.654 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -55.91 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 1.0 110.59 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 9' ' ' ASN . 10.2 m-85 62.66 -71.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' ASP . 2.5 m-20 -57.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -86.28 -1.02 57.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.1 m-85 64.63 -69.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 62.08 -71.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -57.01 -62.61 6.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.35 -91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.03 -45.19 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.598 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -52.19 -37.97 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.9 41.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 19' ' ' CYS . 50.1 m -139.19 140.2 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -54.4 83.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.5 p -77.49 60.28 2.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.6 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 41.77 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -144.72 22.77 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.606 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -166.43 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.12 -34.63 73.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.534 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.9 p-90 -97.07 -45.33 6.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.682 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.05 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.018 179.882 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 m 66.36 92.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -43.84 -62.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -136.69 9.19 3.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.22 55.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 1.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.833 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.2 pt? -144.74 29.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.74 -38.79 1.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.872 179.724 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 55.2 Cg_endo -86.59 10.65 3.54 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.427 2.085 . . . . 1.0 112.011 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.75 -27.87 7.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.39 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.0 mt -105.83 -49.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.1 -23.14 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 74.1 mtp -92.04 -51.9 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.72 33.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 34' ' ' ILE . 25.6 t -137.22 -16.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -104.16 -58.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -86.51 10.21 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.619 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 41' ' ' LEU . 38.4 tp -140.0 -37.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.74 7.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.58 HG23 ' N ' ' A' ' 44' ' ' THR . 9.7 t -148.66 -46.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 1.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.58 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -58.09 -12.96 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.02 -19.74 3.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 15.7 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 1.0 110.612 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.43 14.05 58.81 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -92.51 -1.99 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 1.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -103.15 -4.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.626 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.25 12.05 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.646 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' THR . 18.6 t90 -99.66 -84.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 10.0 t -60.54 -31.13 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.16 -39.63 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.72 29.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -137.83 -33.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.614 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.63 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -4.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 1.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -60.34 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.655 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.66 119.47 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -158.94 -44.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.587 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . 53.9 m-85 -87.13 -35.82 18.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.06 -66.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.538 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -91.39 65.0 2.52 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.2 -36.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.05 -21.88 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -53.13 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -94.37 43.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -143.55 -162.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.566 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -137.91 33.29 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.472 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 -36.2 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 61.2 m-85 -82.68 -49.81 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.7 p -46.99 -33.4 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.03 -22.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.0 p-90 -140.51 -74.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 3.5 mtmt 40.23 94.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 1.0 110.781 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 82.5 5.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.559 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -43.39 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.657 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -108.54 -3.44 32.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.18 49.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.954 0.407 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.84 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -140.61 27.0 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.172 179.404 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -74.73 -34.6 1.83 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.666 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.6 Cg_endo -83.41 27.78 0.6 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 122.017 1.811 . . . . 1.0 111.83 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.39 -67.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.163 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.777 ' N ' HD13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -67.07 -48.36 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.011 179.696 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.39 -20.7 64.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 23.0 ttm -88.45 -60.26 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.31 40.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.625 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.8 t -141.8 -24.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -89.2 -38.14 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.33 -1.7 28.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.639 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -142.38 15.33 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.67 13.37 2.21 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -158.57 -42.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 1.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -75.4 -25.23 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -36.48 7.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.95 4.65 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 1.0 110.605 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.24 24.49 2.07 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 46' ' ' ASN . 35.0 mt -101.99 -4.78 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 1.0 110.519 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 92.9 t -95.02 -3.26 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pp -130.5 -30.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.497 ' HE1' ' HE ' ' A' ' 55' ' ' ARG . 15.5 t90 -59.79 -72.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -48.86 -48.51 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.529 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 53' ' ' VAL . 5.6 t -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.66 -27.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 15.6 mtt-85 -92.7 -59.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.496 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 179.97 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -4.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 1.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 p90 -165.45 30.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.05 138.05 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.547 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 43.2 t-20 -95.59 27.02 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.26 -66.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.592 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.1 t80 71.46 -64.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.64 64.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -41.69 -28.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 1.0 110.579 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.13 -17.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.54 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.4 t30 -71.82 -54.08 11.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -98.07 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.567 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 19' ' ' CYS . 72.9 m -147.3 174.23 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 1.8 pt-20 -53.8 84.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 t -97.31 -40.27 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -146.22 55.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -137.89 12.87 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.532 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -149.32 -48.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.86 17.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.603 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 3.2 p-90 -143.17 20.99 1.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.63 116.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -102.2 91.36 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.09 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -50.75 -27.53 13.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 1.0 110.679 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 17.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.799 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.99 -37.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.297 179.8 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_endo -84.9 5.16 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.23 -28.27 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.45 -56.74 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.14 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.01 -15.4 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 38.1 ttm -91.75 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.6 t -137.39 -39.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -73.82 -16.01 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.2 2.27 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.559 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -145.48 32.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.93 24.95 0.11 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -174.16 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 1.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -84.4 -25.82 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.09 -27.37 0.41 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.54 18.01 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.03 30.97 8.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -93.9 2.88 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 1.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -100.11 -37.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -96.94 -0.18 47.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.67 -179.847 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -51.93 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 1.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -69.98 -38.16 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.505 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.35 -19.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CD2' ' N ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -68.92 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.564 -179.916 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.596 ' N ' ' CD2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -59.74 -2.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.152 -179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.79 -3.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.0 110.631 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -137.7 10.45 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.531 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 18.0 p30 -50.67 87.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.564 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 57.1 t30 -155.94 31.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 98.4 m-85 54.4 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.1 t80 73.59 143.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 32.07 2.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -50.5 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 1.0 110.531 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -25.78 7.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -34.98 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -101.3 41.73 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 41.8 t -156.16 -168.17 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' OG ' ' A' ' 17' ' ' SER . 1.4 pt-20 -42.21 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' SER . 39.1 t -138.0 54.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.4 34.28 23.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.548 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -138.43 11.2 2.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.541 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 9.0 t -158.15 -36.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.619 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -55.13 -6.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 22.1 p-90 -139.4 37.62 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.9 tpmt? -70.02 94.49 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.555 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p 80.12 131.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.4 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.7 m -72.67 17.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 139.92 -4.1 2.63 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.85 27.05 0.23 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.709 0.29 . . . . 1.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.29 -3.05 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -69.69 -35.39 5.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.442 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -65.37 -19.26 61.59 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.901 1.734 . . . . 1.0 112.152 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -105.0 -71.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.99 -179.638 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -40.85 -28.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.64 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 38.4 t80 -85.57 -73.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.767 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 36' ' ' MET . 3.6 ppp? -41.88 -24.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.745 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' TYR . 5.6 mt -72.62 -49.97 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.3 t -57.89 -27.4 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.99 -52.96 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.582 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.96 -6.13 15.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.91 26.11 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -140.08 5.73 2.77 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -165.02 -36.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 1.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 m -73.48 -25.77 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.26 -59.94 2.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -105.39 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 1.0 110.619 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.32 -36.0 0.1 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.9 pp -100.99 -20.23 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 1.0 110.734 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.94 -10.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.7 mp -88.84 7.14 35.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.747 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -114.74 -34.49 5.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.482 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -81.28 -41.77 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.547 179.862 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.84 -18.59 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -87.87 -7.58 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.512 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.74 -32.07 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.616 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.588 -179.973 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.656 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -44.72 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 1.0 110.552 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 21.8 p90 -138.21 118.05 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.616 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -164.48 -174.91 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.56 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.2 t30 48.12 12.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.733 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 74.3 m-85 -158.27 -39.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 53.4 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -65.64 -68.96 1.47 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 66.68 36.83 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 1.0 110.571 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER 44.56 18.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.498 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ALA . 2.4 t-20 -84.15 -44.4 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -101.14 42.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -138.76 125.73 21.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 41.69 48.26 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 t -98.01 51.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 48.81 40.03 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.63 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 8.9 p90 -105.43 18.76 21.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.56 -39.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -64.85 -67.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.7 p-90 -45.87 -39.43 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.71 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 40.21 -129.03 0.38 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.463 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 6.5 m -166.88 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.3 m -59.45 -4.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.264 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 132.12 33.76 0.4 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.71 24.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 1.0 110.44 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 4.3 mm? -102.14 18.0 21.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -79.49 -33.63 0.84 Allowed Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.751 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 64.0 Cg_endo -87.58 23.46 0.8 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 122.333 2.022 . . . . 1.0 112.176 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.48 -35.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.7 mt -91.05 -57.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.98 -15.24 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 48.7 mtp -88.76 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.86 38.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.534 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.1 t -137.88 -18.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -103.82 -54.38 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.54 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.36 12.57 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -146.45 -38.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.96 -34.07 2.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 44' ' ' THR . 8.2 t -139.54 -36.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.0 110.461 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 44' ' ' THR . 7.7 m -72.68 -10.59 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.409 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.72 16.5 8.11 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -160.03 121.47 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 1.0 110.616 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 106.29 -44.75 1.41 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.857 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -107.88 45.26 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.787 0.327 . . . . 1.0 110.323 179.919 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.91 6.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.3 mp -130.34 -3.04 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -34.06 7.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.532 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 t -93.42 -14.82 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.594 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.0 t -92.31 -16.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.4 m-85 -86.24 -7.77 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 -46.07 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.5 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.563 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.79 2.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 1.0 110.582 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' GLY . 8.8 t80 -102.32 -58.42 1.88 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.59 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.09 131.65 48.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 t-20 -138.16 -44.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 77.1 m-85 -157.28 -43.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 67.16 126.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.89 33.4 56.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.56 -35.9 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.68 -15.78 2.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -100.62 42.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.1 173.92 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -45.64 105.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.69 -39.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.579 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -149.22 38.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.573 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -139.17 13.91 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -172.17 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.56 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 27.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD2' ' O ' ' A' ' 24' ' ' TRP . 7.8 p-90 -159.82 30.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -48.34 -59.39 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 83.9 p -160.13 -76.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.513 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 74.24 29.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.825 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' H ' HG13 ' A' ' 31' ' ' ILE . . . 126.06 14.71 2.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -94.06 -64.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' A' ' 34' ' ' ILE . 2.0 pp -100.54 -2.47 32.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.884 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.15 -38.27 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.159 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.2 Cg_endo -87.28 22.46 0.92 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.454 2.103 . . . . 1.0 111.785 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -130.23 -32.52 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.468 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.3 mt -101.62 -35.15 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.02 -32.73 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.9 tpp -76.9 -48.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 33' ' ' ALA . 37.7 mt -74.68 20.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' GLY . 63.2 t -138.95 -25.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.11 -44.74 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.4 8.21 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mt -137.38 4.02 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -84.53 -35.14 14.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -149.47 -32.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.819 HG23 HD12 ' A' ' 48' ' ' LEU . 1.9 m -66.88 -46.82 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.03 -12.29 1.77 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.37 92.48 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 -179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.07 -35.06 1.09 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 44' ' ' THR . 23.6 mt -100.06 8.77 43.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 1.0 110.585 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.6 -22.78 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -99.48 -14.3 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.736 ' HE1' HH21 ' A' ' 55' ' ' ARG . 0.9 OUTLIER -84.81 -71.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.591 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.9 t -47.96 -21.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.606 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 55' ' ' ARG . 5.5 t -83.95 -27.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' TRP . 18.2 t80 -69.93 9.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.123 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.736 HH21 ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -103.46 -46.56 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.811 -179.73 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.713 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' PHE . 3.1 t0 41.99 21.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 60.67 124.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.59 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.82 97.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.538 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 11' ' ' TYR . 11.3 t-20 -127.88 -19.31 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 68.66 -39.39 0.41 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.683 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 9' ' ' ASN . 3.8 t80 53.27 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 1.0 110.686 179.716 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 40.48 29.49 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.464 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -71.25 -155.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.531 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 46.44 15.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.497 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 13' ' ' ALA . 17.1 t-20 -95.69 -35.46 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.387 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -107.01 39.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.51 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 m -140.45 165.76 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 3.1 pt-20 -54.3 108.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 29.9 t -93.67 -59.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 62.2 mt-10 -149.73 35.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -103.7 5.0 35.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.11 -46.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 19' ' ' CYS . 3.1 p-10 -75.37 28.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.5 p-90 -133.8 7.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.51 111.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.498 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.454 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 1.7 m -101.73 90.9 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -76.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.578 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.03 -10.82 84.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.32 41.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.779 0.323 . . . . 1.0 110.812 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.4 16.92 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.881 179.657 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -71.12 -36.9 5.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.024 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.3 Cg_exo -61.2 -17.56 53.26 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.053 1.835 . . . . 1.0 111.757 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -87.17 -80.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.651 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -33.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.692 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -73.83 -38.4 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 13.0 ttm -62.83 -35.51 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.21 19.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 46.1 t -138.99 -13.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -79.36 -58.41 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.6 7.64 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -135.08 4.2 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.598 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.02 -39.7 8.43 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 44' ' ' THR . 6.2 t -146.58 -39.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.742 0.306 . . . . 1.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.4 m -59.0 -26.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.552 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 41.45 2.34 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -35.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.722 -179.819 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . -135.11 -143.11 4.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 50' ' ' LEU . 60.2 mt 61.28 -67.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.526 0.203 . . . . 1.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.3 p -71.23 29.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.274 . . . . 1.0 111.042 -179.605 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.8 pp -174.76 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.3 t90 -86.49 -80.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.582 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -54.53 -11.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 1.0 110.694 -179.702 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.73 -33.11 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 56.9 t80 -68.91 -6.05 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.585 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -93.57 -33.01 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.483 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 mttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.526 -179.975 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -59.39 77.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.693 0.282 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -167.21 -41.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.548 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.444 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 6.4 t0 -55.35 119.07 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' TYR . 29.4 t-20 -139.62 6.24 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m-85 55.41 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 t80 78.62 -65.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.46 36.6 0.98 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -78.36 -151.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 1.0 110.529 -179.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.82 -9.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.626 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.96 -5.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 14' ' ' ASP . 25.7 mt-30 -136.62 43.23 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -149.16 133.9 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.6 pt-20 33.11 40.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.305 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -67.3 -61.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -141.4 70.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -148.45 16.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.17 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -40.62 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.618 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.427 ' CD2' ' C ' ' A' ' 24' ' ' TRP . 9.2 p-90 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.559 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 18.8 ttmt -40.38 116.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.4 m -75.51 -79.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.533 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.6 p 78.39 -14.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.627 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.75 15.38 0.62 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -101.52 -68.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 1.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.17 4.16 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -65.16 -40.97 49.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.72 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.3 Cg_exo -59.73 -47.34 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.289 1.993 . . . . 1.0 112.059 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -49.33 -33.0 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.46 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.7 mp -93.82 -33.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -78.61 -59.81 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.362 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' PRO . 41.9 ttm -49.31 -51.68 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.479 179.726 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 33' ' ' ALA . 45.3 mt -71.13 15.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.825 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 38.8 t -136.47 -14.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.475 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 48.8 t80 -69.57 -15.8 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.21 -6.29 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 46' ' ' ASN . 9.9 mt -137.96 76.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -18.69 0.36 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 44' ' ' THR . 13.1 t -137.29 -44.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG23 ' A' ' 43' ' ' THR . 5.1 m -52.82 -9.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.27 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 113.38 0.83 24.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 HD22 HD23 ' A' ' 41' ' ' LEU . 2.4 t-20 40.37 62.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.0 110.656 179.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.71 41.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 HG22 ' A' ' 44' ' ' THR . 6.4 mt -137.95 -47.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.96 -16.94 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.619 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.9 pp -109.56 1.6 19.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' ' 52' ' ' THR . 24.7 t90 -87.51 -100.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -40.46 -33.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.476 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.11 -51.61 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.9 m-85 -53.94 -20.51 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.294 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 tptp . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.529 -179.958 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 1.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 17.9 p90 -139.91 -22.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.08 106.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 7' ' ' PHE . 3.8 m-20 -100.59 -50.13 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.714 ' CB ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 m-85 -137.94 -33.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 t80 64.52 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.83 -28.79 3.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.714 ' HB3' ' CB ' ' A' ' 10' ' ' TYR . . . -86.36 -18.74 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.616 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.26 -14.09 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.96 -36.35 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -101.33 42.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.52 153.35 23.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 45.25 40.49 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 1.3 m -128.5 79.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.222 179.833 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.0 mm-40 57.07 15.13 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 61.9 m-85 -105.78 94.25 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.196 179.686 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.649 ' H ' ' HE1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 69.82 -12.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.475 -179.76 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 21' ' ' TYR . 1.2 p30 -85.23 27.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.553 179.789 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE1' ' H ' ' A' ' 22' ' ' THR . 4.8 p-90 -142.66 -67.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 25.4 mmtt 52.19 10.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.7 p 174.34 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.34 -2.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -166.4 23.52 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.54 -27.65 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.63 3.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.3 mm -75.43 -35.73 1.92 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.27 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.9 Cg_exo -61.33 -3.99 3.71 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.079 1.852 . . . . 1.0 111.925 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.72 -77.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.698 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -64.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.683 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -51.98 -45.06 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.629 -179.932 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.597 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 14.5 ttp -61.8 -34.95 76.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.54 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LEU . 11.3 mt -74.78 38.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.534 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 43' ' ' THR . 57.9 t -136.74 -36.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.562 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 5.1 t80 -63.2 -22.05 66.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.53 5.16 3.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.217 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 37' ' ' LEU . 5.8 tp -152.6 69.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.51 -23.02 0.11 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.564 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -130.86 -44.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 1.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.564 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 t -52.41 -10.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.075 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 112.63 50.83 0.55 Allowed Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.84 81.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 149.67 -14.94 1.06 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -90.85 -22.89 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.495 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.58 20.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.532 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mp -132.31 -1.69 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.91 -59.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.557 -179.949 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -78.29 -34.12 49.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.604 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.84 -18.68 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.82 -14.66 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -95.49 -22.46 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 mttm . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.58 179.981 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 1.0 110.592 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 90.0 m-85 -150.45 -117.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' PHE . 12.1 t70 41.81 92.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.7 t30 -132.1 -4.17 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 66.52 -35.94 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.169 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.0 t80 73.89 -145.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 1.0 110.49 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -40.25 -29.88 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.56 -71.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 1.0 110.645 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -47.52 -30.06 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.512 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.46 -38.3 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -100.74 41.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.0 m -87.14 91.34 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' SER . 17.4 pt-20 33.22 42.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.362 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -83.86 -53.99 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 2.4 pt-20 -174.76 27.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 36.2 m-85 -102.54 31.7 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -172.34 -32.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.9 26.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 7.3 p-90 -138.72 -59.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 6.1 mtmt 40.8 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.611 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.13 116.1 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -73.73 56.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 97.45 10.65 53.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.69 17.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.6 mp -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.7 mp -67.9 -59.83 6.08 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.285 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 10.0 Cg_endo -51.43 -13.95 1.58 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.816 1.677 . . . . 1.0 112.098 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -94.86 -75.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.0 mt -47.42 -33.8 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -72.54 -27.06 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.468 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.0 ttp -77.53 -44.35 28.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.48 16.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.6 t -136.95 -22.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.3 t80 -68.45 -39.07 81.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.52 3.01 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -137.7 21.03 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.599 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.46 8.58 3.44 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -163.0 -42.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 44' ' ' THR . 12.8 m -71.79 -16.5 62.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.44 -58.09 5.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 41.86 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.98 -16.43 0.61 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -91.17 6.25 45.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 1.0 110.663 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 49' ' ' VAL . 41.8 t -103.35 -9.89 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.831 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -132.38 14.5 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.493 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.8 t90 -100.7 -70.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.537 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 8.7 t -71.08 -32.41 69.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.525 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.2 t -64.04 -39.31 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.68 22.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.2 mtp180 -137.25 -26.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.88 -4.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 1.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -60.2 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -56.35 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -145.54 -40.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.22 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.602 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 83.8 t80 54.68 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.88 59.77 1.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.37 81.38 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 1.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 t0 45.43 17.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.527 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.7 m120 -101.56 -52.77 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 11' ' ' TYR . 2.7 mt-30 -103.66 40.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.87 82.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 46.73 43.71 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -40.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.451 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -150.83 20.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 25' ' ' LYS . 4.7 p90 -83.06 -0.36 48.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.585 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' TRP . 13.9 p -101.98 -30.93 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.51 179.79 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -41.94 -21.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p-90 -150.14 109.99 4.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.442 179.838 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 21' ' ' TYR . 8.8 mmtp -114.48 6.86 16.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -172.6 126.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -19.22 15.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.73 15.36 1.99 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.77 28.59 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.9 pp -135.41 -34.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 33' ' ' ALA . 6.2 mt -47.96 -59.7 5.41 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.335 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 7.6 Cg_endo -50.27 -7.85 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.804 1.669 . . . . 1.0 112.089 179.843 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' LEU . . . -95.39 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -19.64 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.78 -38.74 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 19.5 ttm -63.03 -41.59 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.503 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.37 38.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' MET . 21.5 t -137.93 -34.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -2.98 40.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.63 31.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.53 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -163.88 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 -30.12 11.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 44' ' ' THR . 14.6 t -99.58 -43.19 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 1.0 110.597 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG23 ' A' ' 43' ' ' THR . 2.2 t -79.68 -28.76 40.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.536 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.406 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -80.22 -48.1 6.62 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -158.84 95.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 1.0 110.555 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.13 31.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 -4.55 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 1.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 49' ' ' VAL . 86.5 t -97.87 -2.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 2.0 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.4 t90 -102.06 -53.49 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.531 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -81.12 -42.26 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.46 179.877 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.59 -27.44 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -57.9 -67.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -58.05 -28.44 64.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.84 -25.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 1.0 110.633 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 36.4 p90 -167.03 -53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.565 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 9.8 t70 42.9 94.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.5 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' TYR . 68.8 m-85 -92.64 -55.58 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 12.3 t80 55.77 161.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.613 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 41.18 30.75 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -74.98 -162.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 1.0 110.588 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -5.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.72 -36.85 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.493 -179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.05 41.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -151.01 -172.03 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 3.0 mp0 -57.23 97.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -102.79 92.02 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.557 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 12.1 mt-10 52.79 24.72 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 35.5 m-85 -97.23 -7.61 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 24' ' ' TRP . 8.4 t -173.24 -32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.589 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.39 35.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.5 p-90 -149.95 -53.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.562 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 29.8 mmtt 42.9 -99.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 88.3 p -165.69 -72.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.53 18.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.788 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.07 2.92 2.94 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -71.85 -43.88 64.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.018 -0.273 . . . . 1.0 110.897 -179.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -130.11 4.91 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.353 179.692 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.6 mt -69.63 -35.79 6.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.801 179.345 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.2 Cg_exo -65.2 -13.52 40.22 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.882 1.721 . . . . 1.0 111.551 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.51 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -58.22 -68.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.668 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -41.43 -31.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.68 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.532 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 6.0 ttp -80.74 -43.44 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -5.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.1 t -102.72 2.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.61 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 1.3 t80 -102.37 -72.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.57 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 39' ' ' PHE . 1.8 pp -57.3 -21.58 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -106.76 -24.26 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.53 -51.91 5.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -153.58 -18.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 1.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 46' ' ' ASN . 10.8 m -83.26 -11.32 57.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -48.5 -11.53 0.15 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 42.38 38.72 1.27 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 109.886 -179.712 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.485 ' C ' ' N ' ' A' ' 49' ' ' VAL . . . 58.51 116.14 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.319 -1.113 . . . . 1.0 110.319 -179.658 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.565 ' CD1' HD21 ' A' ' 41' ' ' LEU . 6.1 mp -52.56 -10.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 1.0 109.831 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.485 ' N ' ' C ' ' A' ' 47' ' ' GLY . 4.5 m -54.41 -8.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.292 179.524 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' LEU . 93.4 mt -106.78 21.5 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.666 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 2.0 t90 -126.72 -51.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 t -76.95 -33.23 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 55' ' ' ARG . 55.6 t -59.56 -36.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -72.61 15.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.666 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -139.05 1.18 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.549 -179.981 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.28 -9.21 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 1.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 9.1 t80 -55.36 -12.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -3.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.497 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 11' ' ' TYR . 34.1 t30 -101.65 4.79 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 72.03 -32.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.781 -179.862 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER 66.36 -152.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 -179.916 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.16 81.08 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.63 -0.988 . . . . 1.0 110.63 179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.16 -55.7 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.83 0.348 . . . . 1.0 110.699 -179.534 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -58.35 -30.51 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.84 -31.82 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -102.65 41.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.488 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 m -94.6 49.47 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 44.83 44.81 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.587 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.77 -64.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 48.3 mt-10 -144.34 62.93 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.512 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.4 m-85 -145.45 31.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -170.89 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.569 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -86.31 39.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.562 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 5.3 p-90 -168.55 25.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -41.51 -36.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.48 108.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -84.36 48.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.647 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 150.49 -38.55 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.24 48.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.815 0.341 . . . . 1.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.4 pt? -158.49 19.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.486 179.335 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.69 -38.29 7.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.29 179.809 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_endo -84.4 16.54 1.92 Allowed 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.289 1.993 . . . . 1.0 112.039 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -123.54 -21.39 5.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 33' ' ' ALA . 1.5 mp -105.77 -63.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -46.29 -38.22 8.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.547 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 tpp -78.01 -50.74 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.645 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' ALA . 48.2 mt -75.38 30.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.637 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 35.3 t -144.72 -22.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.601 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.1 t80 -77.94 -48.18 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.484 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.23 7.94 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.37 15.78 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 0.68 3.69 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -149.97 -50.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 1.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' THR . 6.8 m -63.93 -12.1 34.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.92 -64.03 1.35 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -159.01 -109.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 1.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.684 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -62.25 -130.42 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt 64.68 -7.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.578 0.228 . . . . 1.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.6 -29.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.853 -0.425 . . . . 1.0 109.853 179.479 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -127.18 3.9 6.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.994 178.926 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.541 ' N ' HD12 ' A' ' 50' ' ' LEU . 14.1 t90 -84.58 -81.72 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.16 -50.56 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.696 -179.881 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 39.5 t -49.37 -43.31 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -73.3 14.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 23.9 mtp85 -138.07 -25.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.559 179.912 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -2.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -137.28 -27.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.631 179.922 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.404 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.5 t0 -45.28 132.8 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.629 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 37.2 p-10 -89.79 -40.52 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 82.9 m-85 -153.4 -79.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 t80 70.61 -66.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.09 30.85 1.34 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.13 -155.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 1.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 46.35 15.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 8.6 t-20 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.4 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -106.07 39.82 1.72 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 -169.72 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.47 122.99 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.04 -53.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -141.65 32.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 54.9 m-85 -137.78 27.15 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.537 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 4.6 t -172.56 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.32 46.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 15.0 p-90 -163.47 -62.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.567 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.0 mmtt 48.14 73.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.57 124.95 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -44.02 23.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.641 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -138.7 4.35 3.0 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.61 42.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -140.72 15.94 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.55 -179.968 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -77.02 -35.02 1.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 179.846 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.2 Cg_endo -86.88 12.62 2.93 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 122.383 2.055 . . . . 1.0 112.043 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -108.28 -27.8 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -112.67 -65.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -53.8 -13.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 ttm -99.47 -68.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.473 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 33' ' ' ALA . 53.9 mt -47.47 -46.65 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' GLY . 68.6 t -49.24 -32.08 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.531 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.42 -43.41 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.54 15.64 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -153.04 15.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.622 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -137.65 21.75 3.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -177.28 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -54.78 -32.43 60.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -47.22 -62.95 3.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 40.07 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 1.0 110.828 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.46 -13.28 3.74 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -84.94 -8.05 58.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 1.0 110.441 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 m -100.71 -3.56 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.636 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -135.63 1.04 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.626 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.589 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 6.5 t90 -83.64 -74.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.507 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -46.98 -46.99 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.581 179.878 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.91 -22.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.31 19.77 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.589 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 24.7 mtt85 -135.16 -31.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.616 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' GLU . 11.5 tt0 -88.12 92.3 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 2' ' ' GLU . 5.0 mm-40 -52.94 -170.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.55 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.68 -4.2 3.29 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 54.96 -175.23 0.62 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -57.99 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.791 0.329 . . . . 1.0 110.569 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.534 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.23 -7.44 0.12 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.04 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' H ' ' C ' ' A' ' 6' ' ' ASP . 3.8 t70 -45.29 98.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 1.0 110.582 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 18.8 t-20 -99.64 27.27 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.527 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 62.99 -70.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 69.45 149.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.23 30.88 0.49 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.14 -19.76 65.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 1.0 110.537 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 16' ' ' GLN . 1.4 m-20 -56.99 -13.36 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -66.6 1.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.543 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 14' ' ' ASP . 23.3 mt-30 -138.89 41.76 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.506 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER -140.08 165.02 28.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.577 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.08 89.23 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.3 m -139.06 -60.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.583 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -141.22 40.0 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.557 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.49 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -139.68 6.22 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.0 t -138.44 -37.38 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.426 ' N ' HG23 ' A' ' 22' ' ' THR . 0.6 OUTLIER -73.1 -34.31 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.55 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 1.1 p-90 -94.44 8.13 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.554 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.33 -32.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.59 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.5 p -159.23 -74.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.59 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.04 -51.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -116.96 24.89 9.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.65 48.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.815 0.34 . . . . 1.0 110.295 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.0 tp -172.22 -32.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.316 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -72.92 -35.47 2.91 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.412 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.24 -8.78 9.02 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.154 1.902 . . . . 1.0 112.017 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.03 -63.99 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.573 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -53.64 -30.9 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -82.61 -8.03 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 ttm -96.36 -31.62 12.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.548 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -88.22 -17.2 31.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.565 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' O ' ' A' ' 38' ' ' VAL . 90.2 t -101.43 -3.76 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.556 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -75.14 -39.4 60.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -93.51 4.7 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.575 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.8 mt -137.49 24.19 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.531 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 4.37 2.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -161.36 -57.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.8 m -50.51 -23.98 2.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -50.18 -75.87 0.19 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' LEU . 3.1 m-80 -137.05 -110.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.643 0.259 . . . . 1.0 110.452 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.5 22.37 0.05 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 46' ' ' ASN . 5.1 mt -135.9 -45.01 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -45.06 -17.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.562 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.1 mp -92.8 -45.18 8.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -50.51 -58.93 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.541 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.51 ' OG1' ' NZ ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -51.09 -47.3 61.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 53' ' ' VAL . 96.7 t -73.81 5.7 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.577 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -92.87 -18.5 22.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.566 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.539 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -95.51 -9.27 32.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.565 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 58' ' ' GLY . 30.3 mttp -96.8 -77.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.585 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.23 -69.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.506 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . 87.86 26.61 28.8 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 66.3 m-70 -145.5 -106.42 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 1.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -167.98 28.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.58 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 59.41 35.48 23.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.538 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -144.29 153.64 42.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.601 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -164.58 44.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.999 -1.0 . . . . 1.0 110.586 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 mtt . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.382 -0.599 . . . . 1.0 109.382 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -92.29 86.16 5.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.617 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -57.33 166.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.583 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.78 5.47 3.11 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.79 100.48 0.5 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -26.26 56.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 1.0 110.579 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' ASN . 3.6 p90 -138.83 -34.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.573 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 13.5 t70 -47.28 91.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.521 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -138.2 -41.68 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.568 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -65.28 -47.41 76.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.582 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 62.69 145.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.24 37.72 4.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -88.83 -96.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 1.0 110.598 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -22.44 39.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.561 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -50.64 -36.81 37.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.532 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -100.21 41.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.611 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.519 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.1 t -150.88 -162.75 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.611 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.42 80.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.56 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 17' ' ' SER . 40.0 t -100.63 -36.98 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.553 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -149.89 52.17 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -138.43 10.29 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.579 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' TRP . 4.9 t -174.13 -35.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.536 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -75.29 21.48 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.554 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.601 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 33.0 p-90 -138.49 -53.4 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 28.8 mmtt 43.45 -94.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.561 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 24' ' ' TRP . 94.6 p -172.0 124.38 0.53 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.532 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.669 ' H ' HD11 ' A' ' 31' ' ' ILE . 5.4 t -85.8 43.36 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.637 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.66 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 102.12 13.4 31.39 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.42 30.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 1.0 110.564 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -101.22 17.36 22.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.382 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.686 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -88.4 -39.38 0.46 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.096 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -59.62 2.35 0.3 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.29 1.993 . . . . 1.0 112.113 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -129.5 -59.9 1.07 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.545 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.9 mt -47.66 -55.41 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.495 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -24.72 62.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.61 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.3 ttp -74.2 -27.89 61.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.579 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 41' ' ' LEU . 9.1 mt -78.55 -24.37 45.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.11 -29.48 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.588 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 41.1 t80 -69.41 -22.85 63.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.82 26.79 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.562 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 37' ' ' LEU . 4.7 tp -172.28 51.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.69 -23.76 0.1 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -125.73 -36.75 2.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.904 0.383 . . . . 1.0 110.341 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -57.47 -30.27 64.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.33 -63.9 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -154.35 102.12 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.78 0.324 . . . . 1.0 110.514 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.89 34.12 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' C ' ' H ' ' A' ' 50' ' ' LEU . 54.7 mt -105.92 -62.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.816 0.341 . . . . 1.0 110.556 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.6 p -50.49 -10.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.516 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.2 mt -102.66 -21.72 14.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.524 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.502 ' CD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -85.78 -55.21 4.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.579 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.502 ' N ' ' CD2' ' A' ' 51' ' ' TRP . 8.1 t -45.99 -32.9 3.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.52 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -77.92 -31.72 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 51' ' ' TRP . 2.3 t80 -60.98 -30.7 70.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' C ' ' H ' ' A' ' 57' ' ' LYS . 1.7 mpt_? -85.71 -36.81 19.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.609 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -8.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.544 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' H ' ' C ' ' A' ' 55' ' ' ARG . 45.1 tttt -56.95 -40.49 76.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.588 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.57 -105.92 2.94 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -52.37 -99.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 38.9 t-80 -174.26 -73.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.615 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.6 140.94 5.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.565 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -145.27 81.66 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.626 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -171.39 58.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.596 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.4 m80 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.587 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 mtt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -89.72 41.91 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.538 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -52.66 142.46 18.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.13 42.54 76.02 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -170.14 73.28 0.12 Allowed Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.68 -25.6 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.747 0.308 . . . . 1.0 110.607 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 0.1 OUTLIER -140.46 -39.98 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 31.3 t70 -48.09 165.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.547 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -161.7 -39.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -50.02 -46.57 53.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER 66.81 -158.59 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.19 -30.64 0.46 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 59.61 -166.62 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.36 . . . . 1.0 110.605 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.11 -30.96 64.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.577 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -45.04 -52.43 8.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -95.45 46.71 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.615 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.4 t -139.7 166.07 25.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -42.18 99.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.581 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.2 t -95.85 -30.61 13.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 22' ' ' THR . 4.1 mt-10 -138.04 -41.89 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.612 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -67.59 66.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.578 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -160.74 -48.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.585 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.78 -64.14 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.545 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 15.0 p-90 -66.13 -19.12 65.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.536 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -41.62 117.87 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.561 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p -77.73 -74.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.611 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.75 -2.97 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.528 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -169.63 24.83 0.1 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.404 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -105.33 -64.07 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 1.0 110.563 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.96 17.25 21.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.645 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.9 mm -79.88 -35.57 0.95 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.46 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.2 Cg_exo -60.16 -15.81 36.41 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.162 1.908 . . . . 1.0 111.958 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.73 -59.08 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 83.8 mt -54.83 -64.94 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -43.03 -39.69 2.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 mmm -63.5 -58.93 5.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.05 31.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.495 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 23.9 t -138.56 -21.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 39' ' ' PHE . 1.3 t80 -83.68 -40.69 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.585 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.15 -8.72 21.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.564 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -137.05 26.94 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.554 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -159.58 22.36 0.28 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.8 m -170.03 -23.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.759 0.314 . . . . 1.0 110.542 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -101.26 -32.31 10.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.614 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.1 -0.48 61.71 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.17 4.78 2.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.749 0.309 . . . . 1.0 110.539 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.72 19.49 54.49 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.451 ' C ' ' H ' ' A' ' 50' ' ' LEU . 2.2 mt -135.21 -27.96 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 1.0 110.581 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -74.09 14.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.475 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' H ' ' C ' ' A' ' 48' ' ' LEU . 0.4 OUTLIER -144.74 9.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.682 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.445 ' N ' HD12 ' A' ' 50' ' ' LEU . 3.0 t90 -103.33 -52.88 2.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.545 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.1 t -80.56 -29.58 37.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.555 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.39 -40.11 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -14.58 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.633 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -102.24 5.93 40.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.619 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -101.14 -74.05 0.63 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.591 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.491 ' C ' ' H ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -55.76 -5.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.579 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -66.53 7.11 1.52 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.038 -0.825 . . . . 1.0 111.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.491 ' H ' ' C ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -130.2 8.0 5.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.771 0.32 . . . . 1.0 110.445 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -137.53 -56.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.548 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.39 148.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.582 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -101.34 171.53 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.624 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 24.7 t-80 -165.43 60.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.587 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.561 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -140.16 63.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.596 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -57.01 159.48 4.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.588 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.22 51.94 2.47 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -98.58 -39.22 3.72 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 47.1 t0 42.27 23.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -143.67 -5.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.5 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -46.36 124.07 5.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -158.81 -47.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.547 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -52.4 -44.25 65.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.601 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.401 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 1.8 t80 69.66 -65.82 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.539 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -49.52 -31.65 14.7 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -42.73 -28.11 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 1.0 110.63 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' OD2' ' O ' ' A' ' 11' ' ' TYR . 3.3 p30 -49.1 -17.74 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.554 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -50.73 -35.11 29.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.613 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -101.26 41.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.604 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 19' ' ' CYS . 64.0 m -139.74 -168.15 2.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.62 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.51 95.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.551 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 16.0 p -101.28 -37.09 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.546 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.513 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.0 mt-10 -144.92 48.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.565 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 33.5 m-85 -140.99 27.85 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 t -173.8 -34.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.544 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -82.64 5.46 21.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.513 ' NE1' ' O ' ' A' ' 20' ' ' GLU . 7.2 p-90 -141.04 35.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.528 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.77 162.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.57 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -74.64 -74.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.626 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.8 OUTLIER 74.37 -15.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.592 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.56 3.27 3.21 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.425 ' H ' ' HB2' ' A' ' 26' ' ' SER . . . -127.88 -7.9 5.53 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.631 0.253 . . . . 1.0 110.554 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.3 mm? -110.96 -12.55 14.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.413 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.673 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -89.27 -39.49 0.43 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.171 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.26 -18.07 42.95 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.273 1.982 . . . . 1.0 111.933 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.92 -55.39 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.576 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 35' ' ' TYR . 57.7 mt -54.94 -79.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' N ' HG22 ' A' ' 34' ' ' ILE . 83.2 t80 -41.49 -44.28 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.401 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.3 ttm -51.88 -63.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.67 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 mt -46.5 -42.37 15.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.634 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.35 23.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.9 t80 -108.42 -33.69 7.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.488 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 mt -82.63 -12.87 57.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.596 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.34 18.31 3.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -126.01 -14.9 2.95 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 p -142.66 -60.55 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 1.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -44.04 -26.36 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.587 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.557 ' HA2' HD12 ' A' ' 48' ' ' LEU . . . -69.38 -48.63 43.73 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 42.76 20.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 144.21 35.0 0.08 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.091 -0.804 . . . . 1.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.557 HD12 ' HA2' ' A' ' 45' ' ' GLY . 95.7 mt -130.52 -34.54 1.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.805 0.336 . . . . 1.0 110.452 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 49' ' ' VAL . 8.1 p -87.81 -4.54 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.521 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -131.88 -3.37 3.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.565 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.694 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 4.4 t90 -86.19 -74.5 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -45.58 -46.27 14.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.545 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 50.1 t -49.74 -34.64 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.596 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -67.92 -22.28 65.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.522 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.694 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 17.3 mtt85 -99.05 -39.15 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.543 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLY . 31.9 mmtt -62.98 -32.29 73.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.562 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.34 68.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -75.64 -12.79 83.54 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.577 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -178.54 -87.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 1.0 110.537 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -87.62 163.83 16.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.588 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -81.74 -50.79 8.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 p80 -63.34 168.33 4.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.527 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.44 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 79.5 t60 -174.28 68.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.6 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.399 -0.593 . . . . 1.0 109.399 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 45.07 63.86 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.539 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -57.69 157.65 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.99 -3.33 89.2 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 77.11 103.26 0.16 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.04 -3.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' ' 5' ' ' GLY . 12.5 p90 -151.66 29.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.599 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 15.3 p-10 -51.62 98.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.587 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -153.81 -42.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.598 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.58 -31.1 11.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.509 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' C ' ' H ' ' A' ' 13' ' ' ALA . 0.7 OUTLIER 70.84 -66.17 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.543 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.33 29.87 1.18 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -61.7 -153.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.695 0.283 . . . . 1.0 110.503 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 t70 47.87 12.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.532 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' H ' ' C ' ' A' ' 13' ' ' ALA . 24.4 t30 -97.86 -20.61 17.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.025 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.568 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -108.86 33.36 4.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.32 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.4 OUTLIER -145.12 171.95 13.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.552 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.48 78.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.554 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.1 p -47.15 -61.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.633 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt-10 -136.9 4.1 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.553 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 62.4 m-85 -81.31 60.29 4.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.638 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.4 t -174.87 -37.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.612 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -76.7 61.71 1.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 26' ' ' SER . 67.4 p-90 -174.18 -29.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.719 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 26' ' ' SER . 15.3 mmtt -39.33 91.51 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.795 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.7 OUTLIER 79.26 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.466 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.8 t -92.0 42.42 1.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.56 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.632 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 154.19 -22.26 0.67 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.996 -0.841 . . . . 1.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 42.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.97 2.83 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.569 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -78.88 -39.42 1.5 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.164 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.8 -5.71 3.86 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.24 1.96 . . . . 1.0 111.939 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.04 -80.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.517 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.633 ' O ' HG23 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -41.72 -32.76 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.583 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -76.67 -51.6 11.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.9 ttp -63.75 -24.35 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.59 -9.64 58.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.555 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 34' ' ' ILE . 95.4 t -93.97 -7.95 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -66.01 -33.18 75.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.492 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.22 -5.24 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.589 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -135.37 70.12 1.44 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -19.31 0.22 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.5 m -125.66 -37.79 2.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.847 0.356 . . . . 1.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.429 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.2 t -50.34 -11.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.511 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -39.2 -94.02 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.079 -0.808 . . . . 1.0 111.079 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 48' ' ' LEU . 4.0 t-20 -156.87 -139.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.73 0.3 . . . . 1.0 110.538 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.12 -7.05 1.86 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' H ' ' C ' ' A' ' 46' ' ' ASN . 5.1 mt -90.61 -1.67 57.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.346 . . . . 1.0 110.545 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 70.3 t -99.56 -2.51 9.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.572 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.6 3.31 2.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.654 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.467 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.5 t90 -101.8 -79.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.456 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.416 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -67.88 -34.57 76.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.508 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 72.2 t -69.92 -32.45 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.62 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 74.2 t80 -74.94 21.82 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.516 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -161.59 -10.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.624 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 58' ' ' GLY . 1.5 tptp -63.12 -35.68 81.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.557 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' NZ ' ' O ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -55.27 -6.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 99.34 49.69 1.53 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.794 -0.922 . . . . 1.0 110.794 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.6 m170 55.96 -80.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.0 110.614 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' N ' ' O ' ' A' ' 58' ' ' GLY . 46.8 m80 -103.27 -97.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.552 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.458 ' CE1' ' HZ1' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -152.25 137.46 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.544 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -86.69 -170.74 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.625 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -171.75 48.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.563 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.048 -0.977 . . . . 1.0 110.598 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 ttm . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -144.65 73.87 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -57.15 126.36 26.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.83 -45.63 0.04 OUTLIER Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 148.95 116.13 0.82 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 6.2 t0 -70.46 13.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.724 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 13.5 m-85 -144.72 4.29 1.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.554 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 8' ' ' ASP . 2.9 p30 -50.6 128.06 19.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.607 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.3 OUTLIER -89.19 13.54 13.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 62.68 -71.18 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.558 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' N ' ' O ' ' A' ' 9' ' ' ASN . 3.0 t80 69.61 143.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.531 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.2 37.86 2.5 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.99 -53.59 8.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 1.0 110.559 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -21.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -50.95 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.543 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -97.67 42.87 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.37 96.78 9.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.59 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 42.98 42.03 2.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 21' ' ' TYR . 22.0 p -83.69 62.61 6.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.582 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 45.7 mt-10 42.45 52.25 4.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.59 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.7 p90 -143.64 25.42 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.609 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.7 p -144.5 -37.44 0.3 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.555 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -97.53 32.5 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.593 ' CD1' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.33 -33.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.622 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 60.29 -73.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.643 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.533 ' N ' ' O ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -173.97 -74.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.568 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.0 -12.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.507 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -148.96 13.49 1.13 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.58 56.95 0.33 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -173.27 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.45 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.598 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -70.87 -39.55 8.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.24 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.7 Cg_exo -59.42 -2.43 1.38 Allowed 'Trans proline' 0 N--CA 1.494 1.543 0 C-N-CA 122.256 1.971 . . . . 1.0 112.017 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -102.83 -59.38 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.539 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.538 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -57.06 -55.2 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.535 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -33.23 72.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.0 ttp -74.03 -33.87 63.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.599 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.04 -40.0 94.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.536 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.523 ' O ' ' N ' ' A' ' 42' ' ' GLY . 58.4 t -52.48 -34.64 19.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.577 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -71.88 -25.75 62.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -103.28 0.02 30.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.593 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mt -137.67 8.61 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -87.45 -48.69 4.18 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.0 t -140.68 -33.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 1.0 110.577 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.442 HG22 ' O ' ' A' ' 44' ' ' THR . 8.5 m -63.17 -12.79 30.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.557 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.25 -40.61 2.62 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 46' ' ' ASN . 0.2 OUTLIER -102.87 44.06 1.04 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 1.0 110.614 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.25 22.05 2.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.2 mt -106.71 -9.46 16.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.875 0.369 . . . . 1.0 110.618 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -91.73 8.71 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.634 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -140.2 8.7 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.582 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' CG ' ' N ' ' A' ' 52' ' ' THR . 23.6 t90 -96.7 -86.5 0.32 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.576 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.491 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 3.0 t -53.36 -37.32 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.567 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.0 t -55.11 -32.27 27.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -66.91 -46.76 73.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.616 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -94.71 23.32 5.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.565 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.78 -47.95 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.393 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.475 ' HZ3' ' C ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -54.32 -24.44 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.612 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.435 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . 140.74 -67.76 0.48 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER 175.01 101.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.801 0.334 . . . . 1.0 110.524 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' C ' ' HZ3' ' A' ' 57' ' ' LYS . 95.3 m-70 42.41 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.598 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -166.76 -82.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.61 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -49.24 165.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.55 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 -165.01 47.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.582 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.1 m80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.563 -179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 51.15 43.63 29.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.616 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.513 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.17 38.43 4.57 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.39 85.3 1.23 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -44.69 87.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.311 . . . . 1.0 110.548 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.516 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 17.2 p90 -140.63 45.05 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.635 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -54.23 112.65 1.02 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.561 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -93.62 21.13 6.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.47 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.84 -40.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.598 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.7 t80 75.12 -161.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.614 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -41.17 -30.6 0.45 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 53.69 -84.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.317 . . . . 1.0 110.585 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.3 m-20 -58.14 -49.38 77.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.568 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.21 -37.39 15.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.585 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -100.55 41.59 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -143.67 -164.02 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.591 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.48 87.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.518 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -145.37 100.77 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.599 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.476 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 6.6 mt-10 62.87 -0.57 0.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.669 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 19' ' ' CYS . 1.3 m-85 -108.05 26.03 10.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.567 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.439 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -174.09 -45.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.587 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -72.7 53.05 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.668 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 34.8 p-90 -172.32 -32.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.591 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -41.32 99.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 74.48 101.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.567 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -66.9 0.67 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.559 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.656 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.22 -29.72 59.91 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.27 44.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 1.0 110.666 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.601 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 18.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.697 179.844 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.605 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -71.75 -38.74 6.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.195 179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -86.86 14.85 2.33 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.499 2.133 . . . . 1.0 112.071 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.554 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -115.84 -31.4 5.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.502 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.2 mt -106.45 -37.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.524 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -75.95 -29.61 58.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.556 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.487 ' C ' ' H ' ' A' ' 38' ' ' VAL . 15.5 mmm -85.09 -46.95 10.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.579 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 33' ' ' ALA . 41.3 mt -75.32 28.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.585 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 41.4 t -143.09 -9.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.54 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -90.36 -35.25 15.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.607 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -101.14 5.45 42.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.598 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 40' ' ' LEU . 4.8 mt -143.65 15.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.577 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.17 -0.21 3.85 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.864 -0.894 . . . . 1.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.01 -63.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.816 0.341 . . . . 1.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -47.2 -22.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.51 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.43 -64.43 2.75 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.56 HD22 ' C ' ' A' ' 46' ' ' ASN . 0.1 OUTLIER -107.26 -128.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.766 0.317 . . . . 1.0 110.675 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.511 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . 40.74 39.59 1.9 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -106.91 -10.25 16.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 1.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.68 11.67 6.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.559 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -136.92 4.5 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.549 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -97.97 -68.31 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.552 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.591 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -47.51 -46.36 27.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.501 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -43.44 -26.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -82.32 -38.46 24.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.554 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.545 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 1.5 mpt_? -71.55 -35.43 70.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.649 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -60.46 -40.17 90.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.532 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -40.95 2.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.624 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 64.7 7.06 26.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.418 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 1.7 m170 64.47 37.78 7.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 1.0 110.539 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -79.73 52.06 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.572 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -67.41 142.98 56.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.561 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.4 p80 -98.32 136.56 38.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.549 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 19.3 m80 -164.75 64.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.531 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.009 -0.996 . . . . 1.0 110.531 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.415 -0.587 . . . . 1.0 109.415 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -138.53 42.77 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.524 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -56.41 144.79 29.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.569 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.37 36.57 0.06 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -97.49 115.11 5.17 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 41.82 22.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.82 0.343 . . . . 1.0 110.584 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER 46.84 46.95 15.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.572 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -51.06 161.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.515 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -81.73 2.75 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.562 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 65.01 -69.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.55 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.503 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.48 -53.84 1.56 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 44.21 35.95 1.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 1.0 110.555 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 t70 45.38 17.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.539 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.47 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.7 t30 -70.65 -39.3 73.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.519 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -100.75 41.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.505 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.7 139.2 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 40.34 35.83 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.74 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 5.7 t -102.34 91.09 4.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.6 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.514 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 8.6 mt-10 58.07 21.81 8.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.626 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 50.7 m-85 -101.1 13.21 35.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.547 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.475 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.88 -47.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.524 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.41 40.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.526 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.2 p-90 -160.31 -41.45 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.5 mmtt 41.85 -93.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.617 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 24' ' ' TRP . 12.7 p -172.6 126.92 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.0 p -102.3 53.97 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.609 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.659 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.66 -26.02 2.93 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 78.8 41.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.787 0.327 . . . . 1.0 110.523 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.06 13.02 3.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.555 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.6 mp -79.72 -34.5 0.88 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.509 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.0 Cg_exo -59.5 -32.5 96.39 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.046 1.83 . . . . 1.0 111.977 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.71 -61.84 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.54 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 53.3 mt -53.42 -32.69 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.532 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 31.4 t80 -77.78 -16.22 58.54 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.567 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.477 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -88.07 -43.01 12.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.552 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.5 mt -74.84 20.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' H ' ' C ' ' A' ' 36' ' ' MET . 77.9 t -142.42 -15.69 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.573 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 9.3 t80 -78.27 -14.36 59.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.593 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.96 -9.53 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.526 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.9 mt -138.2 62.27 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 171.86 -25.77 0.09 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.991 -0.844 . . . . 1.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.14 -47.23 1.49 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.795 0.331 . . . . 1.0 110.307 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -45.88 -31.62 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.517 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.15 -83.89 0.01 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -148.06 16.24 1.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.834 0.349 . . . . 1.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -89.65 38.91 3.16 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 mt -100.75 -5.63 26.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 1.0 110.568 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.603 ' O ' HG12 ' A' ' 49' ' ' VAL . 74.1 t -100.14 -3.23 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.615 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.01 8.07 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.491 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.7 t90 -92.57 -78.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.498 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.573 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.0 t -66.11 -32.69 74.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.0 t -60.32 -30.28 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.5 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -63.63 -33.11 74.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.61 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.511 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -71.84 -9.23 58.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.623 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -99.58 -56.84 2.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -41.77 -35.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.553 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.52 -77.37 1.74 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.608 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -168.98 120.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.365 . . . . 1.0 110.581 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -160.51 -45.17 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.523 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.71 157.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.435 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 2.8 p-80 -141.81 -175.58 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.597 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 10.7 t-80 -167.9 65.61 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.2 t60 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 118.001 -1.0 . . . . 1.0 110.577 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.364 -0.606 . . . . 1.0 109.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -100.78 69.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.521 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -47.95 158.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.545 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.6 39.1 6.37 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -95.04 73.47 0.96 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.44 20.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 1.0 110.525 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 5' ' ' GLY . 4.1 m-85 -155.95 123.45 5.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.518 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.35 -31.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -99.45 -0.79 40.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.476 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 67.58 -66.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 1.9 t80 79.17 102.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.569 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . 71.48 -59.11 1.21 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.795 -0.922 . . . . 1.0 110.795 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 52.57 -84.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.338 . . . . 1.0 110.613 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -53.18 -38.95 63.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.637 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -42.56 -37.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.535 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.39 41.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.58 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 14' ' ' ASP . 43.8 t -138.74 169.9 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' H ' ' CD ' ' A' ' 18' ' ' GLU . 1.9 mp0 -57.11 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.53 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -99.43 30.03 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.61 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.459 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.4 mt-10 -144.57 -36.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.569 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.401 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 75.6 m-85 -89.59 5.46 45.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.481 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.1 p -142.32 -35.51 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.834 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.9 -24.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 1.0 111.103 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 12.3 p-90 -106.55 -68.85 0.86 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.574 -0.284 . . . . 1.0 111.037 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.546 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.52 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.692 0.282 . . . . 1.0 110.847 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -101.59 91.82 4.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.9 m -73.0 37.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.597 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.658 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 127.76 5.63 5.3 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.59 34.26 0.18 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 1.0 110.533 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' C ' HD13 ' A' ' 31' ' ' ILE . 4.3 mm? -101.32 16.76 24.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.37 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -39.44 0.42 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.279 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.0 Cg_exo -58.67 -16.95 33.03 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 122.215 1.943 . . . . 1.0 112.043 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.55 -69.0 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.69 ' O ' HG23 ' A' ' 38' ' ' VAL . 97.0 mt -43.26 -45.1 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.552 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.87 -38.91 87.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.661 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 19.7 ttm -64.21 -52.67 57.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.61 -57.56 10.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 34' ' ' ILE . 77.4 t -44.51 -26.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.532 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -68.59 -45.93 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.57 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.88 -4.47 28.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -136.63 16.23 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.537 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -138.65 8.48 3.38 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.9 m -155.97 -53.56 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.778 0.323 . . . . 1.0 110.523 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -28.05 68.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.632 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -44.52 -61.97 3.04 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.14 14.8 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -84.07 11.74 56.48 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.0 mt -102.08 2.59 37.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 1.0 110.591 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.621 ' O ' HG12 ' A' ' 49' ' ' VAL . 80.3 t -93.13 -0.77 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.531 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.94 -34.95 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.503 ' CG ' ' N ' ' A' ' 52' ' ' THR . 17.9 t90 -49.46 -86.92 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.597 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.66 -43.36 2.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.602 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 t -51.15 -37.26 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.565 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -65.23 -42.95 92.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.6 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -101.2 22.81 11.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.614 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -90.36 -46.56 8.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.381 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -6.66 0.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 151.63 -78.15 0.21 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.454 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 0.3 OUTLIER -171.17 -23.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 1.0 110.613 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.8 OUTLIER 172.57 111.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.634 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 53.55 178.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.579 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -64.78 -179.96 0.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 48.5 p-80 -158.44 42.37 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.576 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.564 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.411 -0.588 . . . . 1.0 109.411 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.95 56.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.57 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -42.81 144.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.5 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.65 -53.85 0.53 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -45.12 117.29 2.2 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -57.41 -38.7 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 1.0 110.551 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -151.52 17.45 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -56.25 133.76 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.619 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.528 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -85.67 21.38 1.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.526 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 12' ' ' GLY . 9.9 m-85 62.77 -71.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 69.4 t80 49.66 -87.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.6 48.6 1.26 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -80.34 -69.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 1.0 110.607 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.67 -17.95 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.558 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 13' ' ' ALA . 21.0 t-20 -61.12 -37.01 81.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.569 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -101.23 41.83 1.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 19' ' ' CYS . 43.6 t -144.47 127.68 16.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.573 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -43.24 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.514 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.4 t -94.71 -54.16 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -174.69 27.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.535 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 22.0 p90 -137.64 50.83 1.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.58 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 t -173.57 -33.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.508 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -5.27 2.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.538 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.5 p-90 -140.22 -70.84 0.38 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.634 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 48.93 100.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.57 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.2 p -151.63 80.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.572 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.4 t -77.95 46.02 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.5 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 138.59 -5.58 3.17 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 69.42 50.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 1.0 110.523 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.95 20.67 0.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.526 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.8 mm -80.77 -35.77 0.85 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.468 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.2 Cg_exo -59.75 -17.98 45.98 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.13 1.887 . . . . 1.0 111.99 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.21 -58.27 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.528 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.668 ' O ' HG23 ' A' ' 38' ' ' VAL . 96.9 mt -51.45 -30.41 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.635 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -79.9 -30.89 40.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.568 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 ttm -65.27 -34.84 79.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.533 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.1 mt -80.73 -17.21 51.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 34' ' ' ILE . 99.5 t -92.96 -7.16 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.528 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -66.13 -32.14 73.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.538 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -5.64 20.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.556 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.18 75.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.96 -14.97 0.59 Allowed Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.459 ' C ' ' N ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -131.72 -37.62 1.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.769 0.319 . . . . 1.0 110.547 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -48.5 -13.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.529 ' C ' HD22 ' A' ' 46' ' ' ASN . . . -66.66 -81.14 0.16 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.529 HD22 ' C ' ' A' ' 45' ' ' GLY . 2.3 m-80 -138.27 57.9 1.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.713 0.292 . . . . 1.0 110.443 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -113.56 -23.87 4.91 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.8 pp -103.46 -18.46 14.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 1.0 110.692 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.414 HG23 HD23 ' A' ' 50' ' ' LEU . 32.8 m -54.02 -7.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.496 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.2 mt -89.85 2.86 54.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.491 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -111.46 -36.46 5.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.52 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -78.06 -48.55 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.455 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.3 t -41.78 -33.41 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -61.77 -41.66 97.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.629 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' THR . 5.6 mtt-85 -78.94 -43.5 24.54 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.532 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt -74.46 1.36 12.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.616 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -48.23 -50.69 28.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.585 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 70.07 -62.57 0.75 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -175.05 74.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 1.0 110.565 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -160.12 129.03 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.608 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.4 m80 43.97 86.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -77.41 10.96 2.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' ND1' ' C ' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -169.1 66.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.52 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.533 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.04 62.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.5 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -57.86 135.65 56.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.31 51.06 3.23 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -160.78 -79.6 0.03 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.461 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 16.6 t70 -63.93 3.11 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.31 . . . . 1.0 110.685 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -172.12 87.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.675 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -157.0 122.48 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.621 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.615 ' ND2' ' CE2' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.2 -41.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.572 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.615 ' CE2' ' ND2' ' A' ' 9' ' ' ASN . 85.2 m-85 -156.44 -80.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 19.0 t80 62.0 -72.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.62 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -83.12 -49.24 5.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 12' ' ' GLY . . . 43.11 -167.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.899 0.38 . . . . 1.0 110.526 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -58.02 -7.79 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.521 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -71.4 -64.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -97.88 47.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 18' ' ' GLU . 5.8 t -139.58 45.2 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.588 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 17' ' ' SER . 2.0 mt-10 40.3 94.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.757 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -101.51 38.47 1.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.592 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 63.5 42.92 6.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.523 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 12.6 p90 -137.82 33.92 2.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -166.91 -47.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.606 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.9 -32.83 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -83.19 -0.14 48.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.92 108.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.573 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.16 83.35 7.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.535 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 m -69.03 -31.7 70.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.604 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -139.49 6.31 2.99 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 74.95 37.13 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 1.0 110.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.0 4.3 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.548 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.581 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -74.55 -41.01 4.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.6 Cg_exo -57.77 -6.44 2.49 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.218 1.946 . . . . 1.0 112.044 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.59 -60.16 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.58 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.62 -33.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.553 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -34.05 77.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.613 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.473 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.6 tmm? -70.92 -36.08 72.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.591 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.69 11.72 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.696 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.2 t -137.99 7.36 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.507 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -95.26 -54.17 3.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.3 OUTLIER -68.29 -2.79 9.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.558 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.8 mt -126.05 -19.63 4.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.638 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.54 -44.26 33.73 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.981 -0.847 . . . . 1.0 110.981 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.44 -40.56 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 1.0 110.546 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -74.36 -5.08 40.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.5 -17.38 24.21 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -137.85 -44.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.35 . . . . 1.0 110.628 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.618 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.59 71.68 0.11 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' ASN . 3.8 mt -147.76 -17.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.77 0.319 . . . . 1.0 110.547 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.3 p -94.59 -3.42 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.565 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 pp -136.53 2.34 2.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.603 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.479 ' CG ' ' N ' ' A' ' 52' ' ' THR . 9.0 t90 -92.6 -74.29 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.525 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 2.8 t -52.78 -37.41 59.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.481 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.6 t -48.31 -37.88 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.517 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -72.93 -19.58 61.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.575 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.8 mpt_? -92.52 -34.62 14.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.513 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -63.26 -40.74 98.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.578 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' CD ' ' N ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.1 -29.74 5.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 90.77 52.49 2.43 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 58' ' ' GLY . 20.3 m170 43.73 95.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 1.0 110.611 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.427 ' N ' ' CD ' ' A' ' 57' ' ' LYS . 1.4 t60 68.82 174.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.539 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 m80 -90.88 149.25 22.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 48.3 p-80 -157.49 82.32 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.58 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -153.84 41.78 0.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.598 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.0 m80 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.074 -0.965 . . . . 1.0 110.572 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mtp . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 47.04 52.38 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.525 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -57.17 128.99 39.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.13 38.28 0.02 OUTLIER Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.46 108.62 1.57 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.2 t70 44.36 36.78 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.783 0.325 . . . . 1.0 110.574 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -144.57 -3.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.599 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.69 141.78 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.607 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -139.65 6.93 2.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.557 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 70.97 -40.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.604 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.3 t80 76.82 125.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.28 42.54 82.83 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -94.05 -29.78 15.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.34 . . . . 1.0 110.576 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -50.74 -25.45 4.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.57 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -45.91 -38.68 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.607 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -97.58 41.25 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 19' ' ' CYS . 97.8 p -102.94 -167.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.12 86.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.563 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 17' ' ' SER . 13.5 t -137.58 -54.25 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.514 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 77.0 mt-10 -137.81 4.17 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.622 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -101.47 -0.11 35.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.7 p -143.68 -36.61 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.74 -31.85 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 21.6 p-90 -101.46 -57.53 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.595 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.8 94.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HG ' ' HZ3' ' A' ' 24' ' ' TRP . 54.1 p -145.18 113.04 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.558 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.4 m -92.96 15.71 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.585 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.655 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -168.35 -34.09 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.36 44.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.785 0.326 . . . . 1.0 110.594 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.608 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.46 18.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.689 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.617 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.41 -38.96 9.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.078 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.91 -9.03 8.84 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.197 1.932 . . . . 1.0 111.794 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.35 -58.84 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.518 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 92.7 mt -53.95 -28.57 17.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.487 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' VAL . 43.3 t80 -81.64 -70.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.656 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 7.6 ptm -43.0 -25.89 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.64 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' N ' ' C ' ' A' ' 35' ' ' TYR . 5.2 mt -68.54 -43.41 76.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 ' O ' ' N ' ' A' ' 42' ' ' GLY . 53.2 t -59.47 -31.06 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.554 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.2 t80 -67.13 -21.64 65.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.7 mt -108.25 -26.54 10.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.567 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -102.09 -3.57 27.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.461 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -67.17 -53.11 27.76 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.3 t -138.07 -36.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 1.0 110.515 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -59.87 -31.72 70.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.63 24.46 3.19 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -157.77 119.56 3.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.849 0.357 . . . . 1.0 110.494 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.55 34.91 5.11 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 mt -137.38 -34.78 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.328 . . . . 1.0 110.594 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.1 p -82.08 -2.33 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.625 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -134.64 -0.14 2.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.662 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CG ' ' N ' ' A' ' 52' ' ' THR . 2.9 t90 -101.96 -83.32 0.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.479 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.57 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.4 t -59.75 -13.57 10.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -70.62 -48.34 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.504 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -50.19 -39.44 44.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.56 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -80.01 -33.79 38.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.604 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -60.59 -52.48 64.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.553 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' HIS . 22.7 tttt -54.7 -28.27 46.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.514 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 62.4 -74.04 0.02 OUTLIER Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -151.59 -163.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.788 0.328 . . . . 1.0 110.529 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -42.1 117.83 1.04 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.509 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -42.07 -52.14 4.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.541 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 59.78 -160.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.569 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.1 p80 -169.13 42.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.57 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.2 t60 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.523 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 46.84 48.13 15.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.588 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -47.8 148.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.21 -43.43 0.02 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . 168.38 154.45 8.85 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -57.77 80.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.561 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 5' ' ' GLY . 95.2 m-85 -156.73 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.579 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.1 t0 43.39 20.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.606 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 4.5 t-20 -140.06 28.6 2.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.531 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 62.88 -71.15 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.59 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER 71.09 -65.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.581 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.11 35.57 1.08 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -93.79 -100.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 1.0 110.59 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -55.48 -18.33 6.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -54.91 -41.44 70.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.519 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -99.82 41.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.6 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.522 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.5 OUTLIER -138.77 176.39 8.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.545 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.14 90.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.528 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 17' ' ' SER . 45.1 t -86.89 -45.26 11.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.403 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 11.5 mt-10 -138.91 52.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.598 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 48.6 m-85 -138.39 7.58 2.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.581 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 12.9 t -172.19 -34.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 23' ' ' ASP . 15.4 p-10 -88.82 59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.554 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.591 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 18.6 p-90 -171.1 -59.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.577 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.591 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 47.56 14.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.581 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.43 106.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.512 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.466 ' OG ' HD13 ' A' ' 31' ' ' ILE . 55.8 p -71.38 0.6 7.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.644 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 143.59 52.86 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 48.6 25.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.744 0.307 . . . . 1.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -110.03 -25.62 10.14 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.68 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -66.7 -40.45 31.75 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_exo -57.82 -29.85 87.41 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.216 1.944 . . . . 1.0 112.0 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.37 -66.4 0.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.557 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.6 mt -53.5 -32.07 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.574 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -73.97 -21.64 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.602 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' VAL . 35.5 ttp -81.92 -39.72 23.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.645 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.1 mt -72.57 13.63 0.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.579 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' MET . 22.7 t -137.5 -19.92 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.631 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.511 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.2 t80 -72.26 -39.88 68.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.325 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.59 -12.78 15.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.43 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.2 mt -139.36 67.36 1.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.734 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.91 -19.12 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.467 ' C ' ' N ' ' A' ' 45' ' ' GLY . 1.4 m -123.22 -40.77 2.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.0 110.378 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' GLY . 1.4 t -47.62 -15.2 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.449 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.467 ' N ' ' C ' ' A' ' 43' ' ' THR . . . -41.2 -93.78 0.01 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.896 -0.881 . . . . 1.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 48' ' ' LEU . 23.5 m120 -138.45 -104.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.72 0.295 . . . . 1.0 110.502 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 40.87 23.11 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 46' ' ' ASN . 9.3 mt -133.16 -17.34 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.831 0.348 . . . . 1.0 110.501 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -79.48 9.41 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.522 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 11.69 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.631 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.76 -58.79 1.82 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.527 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.623 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.7 t -76.72 -32.29 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.396 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.1 t -58.49 -29.11 37.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.571 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -90.97 31.5 1.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.583 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -139.95 -19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.664 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.18 23.24 2.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.561 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.54 21.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.491 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.05 -34.04 1.95 Allowed Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' CD2' ' H ' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -93.86 42.38 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 1.0 110.647 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.63 23.51 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -165.49 35.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.586 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -151.61 115.28 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.506 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 7.0 p80 -169.2 58.75 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.553 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.417 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 20.7 m80 . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.91 -1.043 . . . . 1.0 110.634 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.544 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.373 -0.603 . . . . 1.0 109.373 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -95.8 92.69 6.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.496 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -57.04 152.4 13.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.554 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.53 11.69 58.09 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -84.93 -81.2 1.08 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.74 2.46 0.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.743 0.306 . . . . 1.0 110.611 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -102.26 -27.68 12.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.617 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -49.3 135.38 17.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' TYR . 8.2 p-10 -95.68 19.43 11.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.584 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 3.0 m-85 70.8 -40.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.618 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.5 t80 69.24 -150.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.493 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.548 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -41.29 -50.29 4.54 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.548 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 71.7 -42.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.772 0.32 . . . . 1.0 110.617 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.2 m-20 -58.0 -22.99 52.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.58 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -44.89 -37.12 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.552 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.43 43.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 19' ' ' CYS . 16.1 m -138.69 -169.77 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.557 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -52.8 85.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.498 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.8 p -85.13 87.08 7.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.593 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 68.47 24.05 7.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.669 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -93.89 -1.7 54.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.593 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.512 HG23 ' N ' ' A' ' 23' ' ' ASP . 8.8 t -172.84 -42.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.529 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' N ' HG23 ' A' ' 22' ' ' THR . 44.7 t0 -74.82 63.29 1.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.528 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 16.0 p-90 -161.92 -35.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.543 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' CD2' ' A' ' 24' ' ' TRP . 5.8 ptpt -39.84 132.92 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.684 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.502 ' CB ' ' HB3' ' A' ' 29' ' ' ALA . 0.5 OUTLIER -71.88 -73.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.486 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.98 -15.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.62 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -142.87 7.72 2.18 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.502 ' HB3' ' CB ' ' A' ' 26' ' ' SER . . . -101.36 -62.27 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.817 0.341 . . . . 1.0 110.545 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -100.98 -0.27 36.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.563 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.588 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -73.35 -40.59 5.67 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.4 Cg_exo -57.65 -14.97 18.84 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.234 1.956 . . . . 1.0 112.025 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.75 -65.85 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -46.46 -42.36 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -52.98 -46.81 68.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.62 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 2.4 ttm -59.54 -26.47 65.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.54 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -85.51 -29.1 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.702 HG12 ' O ' ' A' ' 38' ' ' VAL . 94.4 t -91.68 7.26 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.502 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -96.61 -36.79 10.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.552 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.5 mt -78.34 -4.61 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.516 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.44 5.47 2.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.18 -43.83 5.51 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 44' ' ' THR . 9.8 t -139.39 -40.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 1.0 110.616 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.461 ' N ' HG23 ' A' ' 43' ' ' THR . 3.4 m -55.64 -34.8 65.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.585 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -43.39 -23.97 0.33 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.956 -0.857 . . . . 1.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.45 ' O ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -138.85 6.09 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.711 0.291 . . . . 1.0 110.499 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.53 7.16 81.81 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.488 ' C ' ' H ' ' A' ' 50' ' ' LEU . 5.6 mt -100.42 -24.98 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.788 0.328 . . . . 1.0 110.541 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 46' ' ' ASN . 4.8 m -70.85 11.56 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.514 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 48' ' ' LEU . 32.3 mt -115.79 -46.05 2.86 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.476 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.647 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 3.9 t90 -84.96 -29.4 25.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 55' ' ' ARG . 12.0 m -81.09 -51.21 8.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.574 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -43.75 -26.21 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -94.96 29.04 2.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.595 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.647 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.8 mtt85 -141.67 -20.56 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.429 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.91 -22.91 18.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.53 -34.76 74.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.45 -40.75 2.32 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 60' ' ' HIS . 0.6 OUTLIER -165.8 -136.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.797 0.332 . . . . 1.0 110.542 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.593 ' N ' ' CG ' ' A' ' 59' ' ' HIS . 30.6 m170 -82.4 -107.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.558 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -140.56 -63.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.549 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 20.3 t60 -75.24 -88.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.513 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.534 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 36.0 t-80 -174.57 70.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.567 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.981 -1.009 . . . . 1.0 110.536 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -149.21 42.48 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.552 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -54.91 106.77 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.499 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.86 15.1 59.85 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -59.12 -83.39 0.05 OUTLIER Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -70.97 40.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.785 0.326 . . . . 1.0 110.699 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.4 OUTLIER 57.36 28.7 15.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.528 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.1 t0 42.05 90.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.571 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.583 ' ND2' ' CD2' ' A' ' 10' ' ' TYR . 2.7 p-10 -65.88 -55.6 16.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD2' ' ND2' ' A' ' 9' ' ' ASN . 75.9 m-85 -55.57 -56.07 24.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.574 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 44.62 -96.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.535 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' O ' ' HB3' ' A' ' 13' ' ' ALA . . . -61.87 -63.67 4.59 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 12' ' ' GLY . . . 72.37 -45.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.788 0.328 . . . . 1.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 12' ' ' GLY . 7.0 m-20 -58.06 -4.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.533 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.3 OUTLIER -80.01 1.16 28.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.588 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -139.09 42.04 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.575 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 m -100.59 101.17 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 43.46 41.79 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -88.42 50.69 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.53 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 53.47 60.81 3.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.612 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -150.72 23.17 0.79 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.526 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.1 t -167.08 -34.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.88 -11.48 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.586 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.4 p-90 -149.68 -68.84 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.624 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 19.1 mmtt 41.92 71.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.568 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.0 p -169.39 125.48 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.581 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.404 ' OG ' HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -75.02 16.08 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.503 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 134.13 0.51 3.8 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.17 52.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.033 0.444 . . . . 1.0 110.725 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.836 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -138.68 30.72 2.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.553 179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.6 OUTLIER -78.57 -39.17 1.58 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.851 179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.7 Cg_endo -86.27 24.33 0.76 Allowed 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.503 2.135 . . . . 1.0 111.947 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.25 -33.38 2.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.361 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' O ' HG23 ' A' ' 38' ' ' VAL . 93.0 mt -105.58 -48.38 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.372 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 39.3 t80 -74.26 -6.21 46.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.44 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.427 ' C ' ' H ' ' A' ' 38' ' ' VAL . 41.5 ttm -102.22 -64.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.514 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.69 -8.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.563 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 34' ' ' ILE . 93.2 t -102.28 -14.42 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.547 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -66.65 -33.58 75.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.538 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.76 -4.71 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.573 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.5 mt -136.81 57.61 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.6 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.29 -31.19 0.04 OUTLIER Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.827 -0.909 . . . . 1.0 110.827 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -127.97 -46.36 1.39 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.875 0.369 . . . . 1.0 110.346 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -41.71 -34.98 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.551 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.32 -78.25 0.07 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -154.58 17.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 1.0 110.539 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.21 36.8 3.58 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.6 mt -101.41 4.38 41.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 1.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -91.18 -29.34 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.66 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -102.17 11.9 37.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.648 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 3.0 t90 -97.38 -80.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.397 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.595 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 9.7 t -51.57 -31.14 23.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.313 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.3 t -70.78 -23.05 23.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.449 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.607 ' CE1' ' NZ ' ' A' ' 57' ' ' LYS . 6.5 t80 -64.99 -27.48 68.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.541 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.678 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -65.64 -34.21 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.52 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mttp -98.49 29.21 3.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.607 ' NZ ' ' CE1' ' A' ' 54' ' ' PHE . 8.0 tttp -47.33 -52.1 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.503 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.8 -59.65 0.56 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.579 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -147.67 -86.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 1.0 110.574 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.448 ' H ' ' CD2' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -176.65 -173.16 0.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.643 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -73.19 -61.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.585 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.56 -173.27 4.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.531 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 16.5 p-80 -160.26 45.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.516 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.331 -0.618 . . . . 1.0 109.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -150.06 44.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.572 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -44.38 119.78 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.561 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.98 42.08 0.05 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -91.34 -30.63 10.56 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 t0 41.75 31.8 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.803 0.335 . . . . 1.0 110.562 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.518 ' CD2' ' N ' ' A' ' 8' ' ' ASP . 82.5 t80 -167.3 -88.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.57 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.518 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 9.5 t70 41.86 93.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.6 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 5.0 p30 -69.56 9.66 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.488 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CE1' ' O ' ' A' ' 8' ' ' ASP . 0.8 OUTLIER 68.91 -65.13 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.538 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.605 ' CD1' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER 58.93 149.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.625 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 41.11 30.45 0.42 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.9 -19.96 61.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 1.0 110.584 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -55.58 -22.75 23.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.533 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -48.15 -44.15 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.35 43.49 1.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.79 132.86 17.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.618 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.81 100.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.527 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 44.2 t -98.44 -5.27 32.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.576 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' THR . 13.2 mt-10 -145.5 -53.72 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.582 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -65.65 68.95 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.537 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.2 t -173.51 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.53 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -10.37 59.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.629 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 5.3 p-90 -141.5 -52.48 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.61 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.617 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 39.13 49.97 1.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.88 179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 1.7 p 79.78 123.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.369 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.3 p -86.27 52.84 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.551 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.78 -17.52 2.4 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.056 -0.818 . . . . 1.0 111.056 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.41 41.54 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.729 0.299 . . . . 1.0 110.514 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -133.36 -1.89 3.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.592 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -72.87 -38.81 5.0 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.171 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 56.0 Cg_endo -86.67 8.46 4.42 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.467 2.111 . . . . 1.0 111.849 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.615 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -110.4 -26.04 9.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.498 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 51.4 mt -111.65 -35.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.584 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -81.72 -22.11 37.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.524 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.8 tpp -88.72 -56.58 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.648 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 33' ' ' ALA . 43.8 mt -57.56 -17.13 12.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.586 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 38' ' ' VAL . 95.3 t -100.8 1.77 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.545 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -100.92 -18.34 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.56 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.9 mt -102.44 -7.75 21.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.543 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.8 mt -136.01 10.07 3.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.59 -41.0 4.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 44' ' ' THR . 15.2 t -138.51 -43.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.319 . . . . 1.0 110.572 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.553 ' N ' HG23 ' A' ' 43' ' ' THR . 4.6 m -54.08 -17.22 2.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.525 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.88 -45.49 93.55 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -159.07 114.96 2.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.846 0.355 . . . . 1.0 110.565 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.26 -20.55 2.45 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.535 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.7 mm? -89.79 -32.24 17.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.802 0.334 . . . . 1.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 11.8 p -75.42 24.45 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.479 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' H ' ' C ' ' A' ' 48' ' ' LEU . 2.0 mt -134.42 -44.14 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.488 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CZ3' ' OG1' ' A' ' 52' ' ' THR . 3.0 t90 -86.8 -66.41 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.34 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.513 ' OG1' ' CZ3' ' A' ' 51' ' ' TRP . 4.5 m -45.72 -17.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.502 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' N ' ' C ' ' A' ' 51' ' ' TRP . 5.6 t -82.48 -33.96 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.492 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' TRP . 7.2 t80 -45.97 -43.41 14.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.674 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.53 -38.23 22.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.517 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HZ2' ' HB2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -64.02 2.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.581 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' A' ' 55' ' ' ARG . 38.6 tttm -41.65 -29.68 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.528 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 58.88 -102.24 0.27 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 42.23 -91.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 1.0 110.588 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.515 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.3 t-80 -165.55 -27.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.6 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.9 t-80 59.34 -133.78 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.572 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.577 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 21.3 p-80 -65.55 156.6 32.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.573 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.438 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 2.1 p-80 -161.0 53.67 0.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.563 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.372 -0.603 . . . . 1.0 109.372 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 53.76 68.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.617 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -53.31 154.8 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.543 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.96 -47.08 0.19 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 84.99 -77.24 2.13 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' C ' ' N ' ' A' ' 8' ' ' ASP . 13.2 t0 -70.88 40.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 1.0 110.691 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' H ' ' C ' ' A' ' 5' ' ' GLY . 25.5 m-85 47.63 16.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.572 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.437 ' N ' ' C ' ' A' ' 6' ' ' ASP . 3.3 t70 -45.87 124.77 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 19.2 t30 -149.53 22.81 0.91 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 68.03 -66.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.566 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 64.59 141.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.591 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.49 40.32 2.74 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.57 -22.29 57.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.541 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.09 -22.93 43.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.581 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -34.75 31.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.601 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -101.09 41.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.544 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' CYS . 7.5 t -102.22 -172.1 2.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.54 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -58.75 78.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.515 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 79.2 m -147.68 71.74 1.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.57 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 66.55 31.0 8.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.656 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 60.5 m-85 -131.0 45.51 2.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.505 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.444 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -171.39 -47.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.595 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -74.21 14.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.444 ' H ' ' C ' ' A' ' 22' ' ' THR . 12.0 p-90 -138.36 6.04 2.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.6 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 125.03 11.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.613 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.627 ' HB3' ' HB3' ' A' ' 29' ' ' ALA . 0.0 OUTLIER -64.31 -62.49 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.501 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 77.42 -3.88 2.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.659 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 158.53 35.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 26' ' ' SER . . . -115.84 -57.52 2.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.782 0.325 . . . . 1.0 110.533 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -103.97 -6.04 21.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.652 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.08 -38.73 11.52 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.14 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.1 Cg_endo -87.05 8.29 4.44 Favored 'Trans proline' 0 C--N 1.312 -1.374 0 C-N-CA 122.44 2.093 . . . . 1.0 111.766 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -112.67 -12.07 13.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.486 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.32 -63.51 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.547 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -59.91 -12.19 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.587 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.486 ' C ' ' H ' ' A' ' 38' ' ' VAL . 4.7 ttp -99.9 -45.67 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.561 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' ALA . 19.5 mt -71.77 13.41 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 93.8 t -131.69 -13.92 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.463 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.59 -29.37 70.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -106.74 -5.67 18.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.298 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.7 mt -135.55 73.81 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.502 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.8 -19.06 0.24 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.584 HG23 ' N ' ' A' ' 44' ' ' THR . 8.7 t -136.25 -46.98 0.63 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.584 ' N ' HG23 ' A' ' 43' ' ' THR . 1.8 m -46.8 -32.32 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 131.02 27.31 0.72 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -141.51 75.0 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.852 0.358 . . . . 1.0 110.625 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.43 -40.07 0.18 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.547 ' O ' ' N ' ' A' ' 50' ' ' LEU . 2.8 mm? -69.84 -174.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.587 0.232 . . . . 1.0 110.411 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.737 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.2 p 38.92 22.75 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.769 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mt -138.96 -35.37 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.164 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.446 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -101.02 -45.99 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.406 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 t -67.48 -12.37 60.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.605 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.8 t -76.91 -37.78 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.722 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -74.16 19.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.597 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.492 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.6 mtp85 -130.51 -20.1 2.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.461 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.19 -33.5 7.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.643 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 tttt 70.83 -58.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.628 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 140.17 -13.21 3.05 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 1.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.562 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -168.68 -82.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.572 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.561 ' H ' ' CD2' ' A' ' 59' ' ' HIS . 0.5 OUTLIER -177.24 -68.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.562 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.85 -5.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.574 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 54.8 71.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.551 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.483 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 84.7 t60 -172.44 42.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.028 -0.987 . . . . 1.0 110.57 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 50.28 41.39 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 1.0 109.967 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -169.08 127.97 1.03 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.211 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.2 36.22 0.02 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -160.96 -128.97 0.99 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 t0 43.99 21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 1.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 5' ' ' GLY . 39.9 m-85 41.93 61.65 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.468 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' OD1' ' CD1' ' A' ' 11' ' ' TYR . 23.5 t70 -59.21 134.31 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.637 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.646 HD21 ' NE2' ' A' ' 16' ' ' GLN . 0.6 OUTLIER -154.68 -36.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.592 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' ALA . 37.8 m-85 -42.22 -26.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.423 ' CD1' ' OD1' ' A' ' 8' ' ' ASP . 3.3 m-85 -37.57 -71.32 0.08 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -51.44 -25.17 12.47 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.283 -1.127 . . . . 1.0 110.283 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . 41.12 -91.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.818 0.342 . . . . 1.0 110.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -51.76 -25.04 6.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -44.86 -34.34 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.486 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.646 ' NE2' HD21 ' A' ' 9' ' ' ASN . 3.5 mt-30 -101.68 41.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.5 m -139.01 -168.96 2.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.536 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -42.31 101.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.523 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' O ' ' OE2' ' A' ' 20' ' ' GLU . 8.3 t -152.68 -63.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 63.6 mm-40 -137.86 11.18 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.586 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.561 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 64.6 m-85 -98.34 14.46 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.62 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 23' ' ' ASP . 10.2 t -171.81 -37.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.509 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' N ' HG23 ' A' ' 22' ' ' THR . 1.4 m-20 -73.44 45.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.649 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.581 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.2 p-90 -157.17 -59.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.564 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 27.2 mttt 42.07 -92.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.622 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . 68.9 m -94.66 -75.88 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 0.9 OUTLIER 71.29 -12.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.595 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -146.57 12.34 1.54 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.549 ' O ' HD12 ' A' ' 30' ' ' LEU . . . -134.81 1.35 3.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.709 0.29 . . . . 1.0 110.641 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 29' ' ' ALA . 2.5 mp -125.0 -19.51 5.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.526 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.694 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -90.41 -39.59 0.41 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.196 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.594 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 59.6 Cg_endo -86.63 17.46 1.75 Allowed 'Trans proline' 0 C--N 1.312 -1.376 0 C-N-CA 122.406 2.07 . . . . 1.0 112.155 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -136.19 3.1 2.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.514 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -136.8 -45.07 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.559 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -26.38 26.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.524 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.479 ' C ' ' H ' ' A' ' 38' ' ' VAL . 1.4 ttp -81.47 -36.29 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.546 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 41' ' ' LEU . 14.1 mt -75.4 31.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.596 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' H ' ' C ' ' A' ' 36' ' ' MET . 92.1 t -139.3 -26.94 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 6.0 t80 -68.75 -22.17 64.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.424 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.31 -1.84 2.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' LEU . 32.0 tp -147.09 70.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 168.63 -24.58 0.11 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.7 t -139.86 -29.94 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.849 0.356 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' THR . 10.5 m -64.31 -9.6 18.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.12 -41.6 2.82 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 1.9 t30 -104.28 -9.61 18.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.74 0.305 . . . . 1.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' CA ' HD11 ' A' ' 50' ' ' LEU . . . -72.91 37.09 0.74 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 48' ' ' LEU . 4.1 mm? -98.83 -4.02 34.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.796 0.331 . . . . 1.0 110.584 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.54 -30.72 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.81 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -95.67 4.82 52.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 1.0 110.508 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.706 ' HE1' ' NH2' ' A' ' 55' ' ' ARG . 6.2 t90 -92.37 -70.56 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.563 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.471 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -56.15 -46.6 79.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.564 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.98 -41.28 40.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.566 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -51.46 -43.5 62.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.632 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.706 ' NH2' ' HE1' ' A' ' 51' ' ' TRP . 1.1 mpt_? -65.74 -29.94 70.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -76.35 -29.08 57.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -30.67 12.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.665 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 51.62 37.01 40.94 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.904 -0.879 . . . . 1.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 58' ' ' GLY . 33.9 m170 54.59 167.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 1.0 110.617 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 t60 64.29 131.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -91.68 140.72 29.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.529 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -90.43 129.31 36.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.624 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 1.9 t60 -163.35 50.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.58 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 mtt . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.413 -0.588 . . . . 1.0 109.413 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -79.57 65.29 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.592 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -43.29 156.51 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.667 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.79 -6.1 54.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 160.98 113.43 0.31 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.921 -0.871 . . . . 1.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.88 40.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 1.0 110.73 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.485 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -160.54 -30.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.553 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.36 104.36 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.573 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -156.41 23.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.571 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER 67.8 -66.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.552 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.2 t80 67.22 131.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.535 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 48.4 5.09 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.81 -23.85 33.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 1.0 110.586 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -55.13 -32.42 62.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.622 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -42.56 -44.47 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.558 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -95.64 42.87 1.09 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.555 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 19' ' ' CYS . 8.8 t -140.38 -165.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.537 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -41.63 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.566 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 6.9 t -148.56 86.57 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.51 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 40.4 mm-40 60.19 8.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 67.4 m-85 -101.49 41.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.522 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.51 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.0 OUTLIER 175.43 -41.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.591 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.41 -11.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.619 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 17.1 p-90 -150.52 -48.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.74 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.8 OUTLIER 41.21 -163.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.598 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 8.0 m -166.33 119.18 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.625 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.825 ' H ' HD13 ' A' ' 31' ' ' ILE . 26.3 t -75.56 2.46 11.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.578 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 137.88 38.21 0.13 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.61 15.73 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 1.0 110.544 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.8 mp -101.82 1.7 37.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.601 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.825 HD13 ' H ' ' A' ' 27' ' ' SER . 1.1 mp -74.78 -40.19 3.85 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 36.3 Cg_exo -57.95 -34.79 98.79 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 122.19 1.927 . . . . 1.0 112.04 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.92 -64.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.576 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.6 mt -50.78 -32.71 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.631 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 24.2 t80 -77.67 -26.17 50.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.485 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.4 ttm -73.09 -34.68 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.542 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.1 mt -75.19 24.35 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.543 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 38' ' ' VAL . 52.1 t -143.5 21.08 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.388 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -108.73 -40.7 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.213 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -76.59 -2.49 32.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.326 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.05 -23.49 3.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.759 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.62 -25.98 70.64 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.013 -0.835 . . . . 1.0 111.013 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -140.21 -61.88 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.783 0.325 . . . . 1.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -48.53 -27.76 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.442 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.44 75.19 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 41.94 89.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.767 0.318 . . . . 1.0 110.511 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.07 -31.04 2.59 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 1.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -59.75 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.819 0.342 . . . . 1.0 110.513 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -60.52 -17.6 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.62 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -96.95 -4.63 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.639 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -92.37 -55.88 3.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.542 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.36 -47.51 56.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.596 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.63 -28.09 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -54.87 -36.65 65.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.606 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -94.31 -37.3 11.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -5.45 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.554 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -47.4 -49.39 25.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.498 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.54 12.25 55.66 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -100.91 -29.32 12.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 1.0 110.614 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 69.5 24.75 5.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.452 ' O ' ' CG ' ' A' ' 61' ' ' HIS . 16.6 t-160 50.6 70.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.53 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.61 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 23.4 t-80 -172.54 63.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.533 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 1.8 t60 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.602 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.354 -0.609 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -92.83 81.64 4.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.612 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.94 147.1 1.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.624 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.94 36.41 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.528 ' O ' ' CG ' ' A' ' 7' ' ' PHE . . . 142.1 -122.97 2.1 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.2 t70 48.31 12.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 1.0 110.797 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CG ' ' O ' ' A' ' 5' ' ' GLY . 2.9 p90 177.29 17.57 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.38 75.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.585 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -154.06 35.52 0.43 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.481 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 6.4 m-85 64.91 -69.47 0.09 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.609 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.485 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.7 t80 76.09 101.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.601 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.43 -54.98 1.58 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 46.84 41.96 11.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 1.0 110.548 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 45.4 22.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.584 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.412 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.1 t30 -95.39 -28.21 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.609 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -137.66 42.45 2.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.6 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 19' ' ' CYS . 2.4 t -142.61 -165.97 2.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.622 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -53.06 88.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.606 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 17' ' ' SER . 41.0 t -90.1 -58.25 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.61 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -136.88 3.31 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.567 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -86.12 56.19 3.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.9 p -147.41 -36.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.597 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -71.25 -65.52 0.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.732 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 11.8 p-90 -72.58 49.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.706 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.95 0.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.528 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 24' ' ' TRP . 8.6 m -168.8 113.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.552 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.67 -3.73 0.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.664 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 131.45 33.41 0.45 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.664 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.54 25.08 0.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.869 0.366 . . . . 1.0 110.438 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.38 17.11 24.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.355 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -77.6 -33.81 1.08 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.777 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.4 Cg_exo -59.3 2.34 0.26 Allowed 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.03 1.82 . . . . 1.0 112.16 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -135.98 -48.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.678 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.6 mt -55.19 -71.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.632 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -48.64 -31.29 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -68.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.71 47.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -145.96 -30.11 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.573 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 2.2 t80 -86.2 -33.74 20.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.528 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -119.86 8.55 11.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.526 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tp -144.49 9.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.606 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.9 -31.39 5.41 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.578 HG23 ' N ' ' A' ' 44' ' ' THR . 9.3 t -139.76 -46.73 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 1.0 110.547 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.578 ' N ' HG23 ' A' ' 43' ' ' THR . 2.3 m -56.68 -36.94 70.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.503 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.1 -40.57 7.34 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.21 104.12 1.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 1.0 110.569 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 50' ' ' LEU . . . 160.94 42.67 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.8 mt -116.97 -27.01 6.68 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.852 0.358 . . . . 1.0 110.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p -77.48 13.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.523 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -142.31 6.3 1.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.705 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.531 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.85 -60.08 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.461 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.577 HG23 ' N ' ' A' ' 53' ' ' VAL . 9.0 t -66.42 -45.62 79.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.323 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.577 ' N ' HG23 ' A' ' 52' ' ' THR . 24.0 t -47.09 -20.16 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.57 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' C ' ' H ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -72.12 -66.45 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.708 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -48.04 -13.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.614 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' H ' ' C ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -131.27 43.19 3.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.478 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? -47.17 -59.34 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.56 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 59' ' ' HIS . . . 98.6 -72.46 0.57 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 58' ' ' GLY . 18.7 m170 -53.93 -169.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.797 0.332 . . . . 1.0 110.523 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -138.95 100.64 4.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.591 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 172.96 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.613 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.502 ' HD1' ' C ' ' A' ' 62' ' ' HIS . 3.2 t-80 -93.04 60.59 3.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.547 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.492 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 3.3 t-80 -170.2 54.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.597 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.9 t60 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.944 -1.026 . . . . 1.0 110.56 -179.986 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -100.52 42.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.564 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -52.52 179.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 50.54 59.07 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -48.02 128.72 17.17 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.97 -4.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.798 0.332 . . . . 1.0 110.574 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' C ' ' H ' ' A' ' 9' ' ' ASN . 34.9 t80 -60.4 -38.95 85.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.57 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -74.61 25.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.656 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 7' ' ' PHE . 15.3 p-10 -60.19 -23.87 64.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -141.14 -59.63 0.49 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 21.3 t80 62.83 137.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.76 31.25 57.83 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -83.46 -40.96 18.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 1.0 110.522 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -57.74 -5.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' ALA . 2.8 m120 -55.94 -39.58 71.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.593 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -99.03 42.12 1.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.569 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -156.02 -166.14 2.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.544 -179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.88 88.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.57 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' SER . 42.0 t -101.09 -47.99 4.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -143.24 54.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.554 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -142.85 19.35 1.98 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -174.13 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.576 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.59 -16.25 56.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 9.0 p-90 -99.95 26.27 6.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.11 146.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.538 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.4 p -101.15 90.35 4.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.534 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.487 ' OG ' HD13 ' A' ' 31' ' ' ILE . 99.2 p -54.72 -12.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.518 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 149.35 62.23 0.01 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 44.27 39.65 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 1.0 110.557 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.55 -24.25 3.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.589 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mp -67.29 -40.09 24.99 Favored Pre-proline 0 CA--C 1.534 0.329 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -57.86 -38.14 93.67 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.248 1.966 . . . . 1.0 111.966 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.66 -64.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.562 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 38' ' ' VAL . 30.9 mt -54.98 -38.42 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.522 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 39' ' ' PHE . 3.9 t80 -70.73 -34.24 71.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.51 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.1 mmm -65.22 -54.03 35.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.562 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -67.16 -18.84 65.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.57 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.5 t -102.05 -10.42 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.594 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' N ' ' O ' ' A' ' 35' ' ' TYR . 6.0 t80 -68.5 -33.62 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.487 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.49 -4.58 26.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.508 -179.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -136.23 58.88 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -176.67 -30.64 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -128.38 -47.06 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.853 0.359 . . . . 1.0 110.38 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -41.73 -29.53 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.599 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.51 -74.1 0.37 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.6 t30 40.47 91.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.802 0.334 . . . . 1.0 110.667 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 145.53 -25.41 1.83 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.867 HD22 ' N ' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -108.58 0.25 20.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.799 0.333 . . . . 1.0 110.294 179.996 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 49' ' ' VAL . 3.2 m -101.57 29.91 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.473 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 pp -161.77 -33.03 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.0 OUTLIER -86.32 -76.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.805 -179.698 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.594 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.2 t -53.81 -11.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.688 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.1 t -90.8 -21.0 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.667 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -59.54 -25.0 64.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.698 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.42 -19.18 14.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.628 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 58' ' ' GLY . 21.0 mmtp -107.11 16.05 24.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.614 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -67.37 66.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.695 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -42.36 -58.46 3.39 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.08 123.4 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.487 -179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.402 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 1.6 t-80 70.11 -158.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.599 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.564 ' CD2' ' H ' ' A' ' 62' ' ' HIS . 2.5 t-160 -142.1 -152.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.668 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.564 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 73.5 t60 48.13 73.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.585 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.45 ' C ' ' HD1' ' A' ' 63' ' ' HIS . 5.6 t-80 -171.45 65.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.583 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.384 -0.599 . . . . 1.0 109.384 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -88.44 66.25 8.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.85 148.81 24.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.526 -179.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.9 41.86 0.1 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -63.42 164.81 29.02 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -5.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 1.0 110.552 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.455 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.0 OUTLIER -54.83 -76.87 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.602 179.95 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.61 132.25 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.572 -180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -99.78 -36.3 9.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.48 -179.979 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -90.13 -79.4 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.594 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.75 150.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.561 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' O ' ' OD1' ' A' ' 15' ' ' ASN . . . 41.22 32.94 0.72 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.68 75.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.0 110.523 180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -57.02 -10.25 1.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.561 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 12' ' ' GLY . 16.9 m120 -61.08 -33.98 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.59 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -102.4 41.43 1.23 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.51 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 19' ' ' CYS . 36.3 m -101.82 -170.22 1.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.494 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -57.56 80.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.544 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -148.11 -37.18 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -138.22 24.79 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.407 ' HA ' ' HE1' ' A' ' 24' ' ' TRP . 78.6 m-85 -140.45 28.63 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.53 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 t -164.96 -35.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -71.53 -76.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.577 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.626 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.7 p-90 -41.93 -49.17 4.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.545 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 39.13 -90.65 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.986 179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.565 ' OG ' ' HB3' ' A' ' 29' ' ' ALA . 1.0 OUTLIER -97.67 -70.56 0.72 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.53 179.936 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 72.72 -16.43 0.45 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.657 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -137.51 4.4 3.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.565 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -125.71 -24.09 3.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.637 0.256 . . . . 1.0 110.745 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 29' ' ' ALA . 4.3 mm? -114.64 -26.36 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.316 179.895 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -75.28 -33.87 1.51 Allowed Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.699 -179.861 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.3 Cg_exo -60.07 3.45 0.24 Allowed 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.019 1.813 . . . . 1.0 112.194 -179.902 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -135.3 -70.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.721 -179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 45.8 mt -41.26 -21.9 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.621 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' ALA . 82.7 t80 -83.74 -38.63 21.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.634 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.506 ' N ' ' O ' ' A' ' 33' ' ' ALA . 3.1 tpp -63.26 -44.9 93.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.2 mt -61.38 -28.41 69.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.549 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.3 t -100.49 -6.6 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 35' ' ' TYR . 86.2 t80 -67.86 -34.26 76.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -5.56 24.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.528 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.2 mt -135.14 68.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.574 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.47 -27.16 0.08 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.4 t -137.93 -21.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 1.0 110.492 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' THR . 8.6 m -75.73 -11.46 60.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.52 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.94 -15.23 58.15 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.84 6.73 2.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.785 0.326 . . . . 1.0 110.612 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -91.39 7.08 80.64 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.478 ' C ' ' H ' ' A' ' 50' ' ' LEU . 70.6 mt -100.43 -36.6 9.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.578 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -53.41 -8.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.53 179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 ' H ' ' C ' ' A' ' 48' ' ' LEU . 12.4 mt -102.85 -51.98 3.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.517 179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' A' ' 53' ' ' VAL . 1.2 t90 -80.71 -62.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 -179.923 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 52' ' ' THR . 20.6 m -51.21 -10.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.493 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.474 ' H ' ' C ' ' A' ' 51' ' ' TRP . 5.3 t -100.18 -29.47 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.532 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -53.9 -11.81 0.47 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' N ' ' C ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -102.05 -18.93 15.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.495 -179.917 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -92.01 -2.05 56.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -47.9 -38.47 16.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.728 -179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 57' ' ' LYS . . . 39.41 95.15 0.01 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.235 -0.746 . . . . 1.0 111.235 179.821 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -158.7 -48.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 1.0 110.492 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.5 OUTLIER -94.97 -56.71 2.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.617 179.901 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER 60.31 140.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.561 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.466 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -93.14 -156.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.582 179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.466 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 71.0 m80 -156.68 54.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.1 t60 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.546 179.941 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 ptt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -87.38 98.28 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -52.43 119.02 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.565 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.48 -41.28 2.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.924 -0.871 . . . . 1.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 171.11 154.43 9.71 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.79 -4.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 1.0 110.574 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' H ' ' C ' ' A' ' 5' ' ' GLY . 1.1 m-85 -55.84 -73.99 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.587 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -42.46 126.52 3.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.596 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -153.43 -38.77 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.59 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.0 OUTLIER -89.78 -65.1 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.531 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.555 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 72.8 t80 51.27 -88.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.578 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -63.41 -55.78 23.65 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 50.74 -173.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 1.0 110.508 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -50.67 -31.05 15.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.587 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -53.95 -35.68 62.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.566 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -137.87 53.55 1.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 18' ' ' GLU . 16.8 t -155.72 115.24 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 17' ' ' SER . 10.0 pt-20 33.1 48.9 0.16 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.447 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 20' ' ' GLU . 1.7 t -72.56 -77.86 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.558 179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.533 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 66.8 mt-10 -142.93 21.05 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.571 179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.614 ' CA ' ' HE1' ' A' ' 24' ' ' TRP . 80.8 m-85 -107.62 -16.58 14.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.425 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.0 p -133.72 -32.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.714 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -41.6 -20.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.783 -179.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.614 ' HE1' ' CA ' ' A' ' 21' ' ' TYR . 1.3 p-90 -103.76 -96.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.585 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 31.3 mttm 55.73 18.86 3.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.628 -179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.475 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 1.3 m 163.04 136.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.601 179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.8 p -79.17 55.83 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.612 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.556 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 142.25 -17.25 2.51 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.131 -0.787 . . . . 1.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 71.5 23.93 3.74 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.965 -0.294 . . . . 1.0 110.667 179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -107.1 -10.72 15.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.672 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.608 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -75.35 -38.9 2.92 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.182 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.7 -12.57 22.08 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.269 1.979 . . . . 1.0 111.762 -179.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.44 -52.35 5.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.503 179.904 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 38' ' ' VAL . 5.2 mt -63.07 -52.08 63.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.433 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -52.88 -28.29 22.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.547 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.417 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.58 -64.59 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.586 179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mt -72.25 43.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.546 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 34' ' ' ILE . 18.3 t -137.33 -21.56 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.606 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.37 -38.67 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.504 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.55 2.74 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.626 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 tt -135.72 -34.2 0.84 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.01 -43.08 16.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.039 -0.824 . . . . 1.0 111.039 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.589 HG23 ' N ' ' A' ' 44' ' ' THR . 8.3 t -148.68 -47.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 1.0 110.606 -179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.589 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -57.03 -10.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.44 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.515 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -59.59 -27.6 63.95 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.515 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 16.6 m-80 -156.9 -64.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.594 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.506 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . 126.35 9.12 4.66 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.824 -0.911 . . . . 1.0 110.824 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.6 mm? 45.03 16.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.342 . . . . 1.0 110.571 179.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 47' ' ' GLY . 1.8 p -112.63 -27.46 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.17 -179.911 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.5 pp -105.09 -0.77 26.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 -179.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' HE1' ' NE ' ' A' ' 55' ' ' ARG . 14.4 t90 -80.92 -85.95 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.519 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.43 -47.6 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.972 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.5 t -47.1 -53.31 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.569 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.65 -33.11 54.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.522 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.608 ' NE ' ' HE1' ' A' ' 51' ' ' TRP . 14.7 mtt-85 -82.73 -32.25 28.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.558 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -73.57 12.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.536 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' ARG . 9.3 ttmt -55.03 -45.74 75.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.586 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.2 -58.44 4.61 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -86.14 60.11 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 1.0 110.552 179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -43.45 128.23 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.556 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.36 108.72 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.491 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -85.94 16.78 3.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.506 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 42.5 t-80 -171.68 65.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.59 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.943 -1.027 . . . . 1.0 110.625 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.1 mpt? . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.431 -0.581 . . . . 1.0 109.431 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -57.06 120.33 7.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.461 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -160.39 155.97 25.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.606 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.58 -23.35 64.87 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 139.16 111.82 1.0 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.999 -0.84 . . . . 1.0 110.999 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.72 2.43 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.775 0.322 . . . . 1.0 110.654 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.47 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 t80 -102.56 -21.53 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.551 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.43 123.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.599 179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.8 t30 -138.85 -37.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' GLY . 80.5 m-85 -42.39 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 86.9 t80 52.45 -90.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.511 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -44.69 -54.08 6.83 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . 43.13 -92.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 1.0 110.601 -179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -47.42 -20.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.544 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -70.76 0.69 6.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.645 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -138.15 42.13 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.582 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 18.3 t -138.71 142.19 38.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.591 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 44.54 45.44 7.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.609 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.7 t -138.25 -43.31 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.63 8.31 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 -179.926 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' C ' HG22 ' A' ' 22' ' ' THR . 6.8 m-85 -97.4 70.29 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.924 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.438 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -173.4 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.63 -179.946 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -75.04 9.67 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.592 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 3.5 p-90 -141.87 -44.32 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.551 179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 11.1 mmtp 52.31 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.645 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 57.7 p -101.54 -69.89 0.76 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.742 -179.894 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 24' ' ' TRP . 1.3 m 51.77 17.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.25 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 161.55 35.55 0.02 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.516 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -131.52 -42.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.691 0.281 . . . . 1.0 110.712 -179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -103.41 -17.6 15.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.005 -179.846 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.1 OUTLIER -62.71 -40.27 62.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.781 -0.367 . . . . 1.0 111.026 -179.951 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 3.9 Cg_exo -70.86 29.28 0.21 Allowed 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 122.297 1.998 . . . . 1.0 111.892 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' ' 31' ' ' ILE . . . -141.7 -45.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.788 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.93 -19.48 12.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -90.1 -30.29 17.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.412 179.728 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.492 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 1.1 ppp? -86.4 -23.87 25.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.481 179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.5 mt -68.93 -24.93 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.514 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.1 t -78.82 -8.83 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.31 -41.95 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.37 0.17 54.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.611 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mt -135.61 31.17 3.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.51 2.77 3.16 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.497 ' C ' ' H ' ' A' ' 45' ' ' GLY . 1.8 m -166.39 -50.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.357 . . . . 1.0 110.357 179.887 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 44' ' ' THR . 20.5 m -56.89 -4.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.363 179.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 43' ' ' THR . . . -38.8 -75.66 0.09 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.92 130.47 0.4 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.802 0.334 . . . . 1.0 110.727 -179.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.69 -39.13 3.0 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.046 -0.822 . . . . 1.0 111.046 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -82.94 -8.26 59.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.838 0.351 . . . . 1.0 110.423 -179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.4 m -90.36 8.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.583 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -127.39 -0.01 6.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.2 t90 -97.44 -72.87 0.63 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.541 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.469 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -50.66 -46.97 58.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.556 -179.955 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 53' ' ' VAL . 95.1 t -56.21 -6.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' H ' ' C ' ' A' ' 52' ' ' THR . 11.8 t80 -100.36 7.69 44.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' CG ' ' O ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -166.64 81.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.564 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.53 -35.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.538 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -8.48 1.27 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.537 -179.957 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' C ' ' N ' ' A' ' 60' ' ' HIS . . . 48.35 52.49 18.53 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' CG ' ' C ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 47.53 14.86 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.817 0.341 . . . . 1.0 110.646 -179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.47 ' N ' ' C ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -101.22 103.44 14.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.653 179.96 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.82 16.75 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.564 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.542 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 1.4 t-80 -154.94 -136.79 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.574 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.542 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 66.1 t60 -165.47 61.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.505 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.584 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.361 -0.607 . . . . 1.0 109.361 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -96.86 65.85 2.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.568 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -55.56 149.19 14.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.542 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.43 51.35 1.58 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . . . -147.59 82.6 0.19 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 -179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER 44.31 -169.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 1.0 110.535 -179.964 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.533 ' O ' ' CG ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER 62.28 -7.94 0.12 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.064 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.543 ' H ' ' C ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER -50.42 139.23 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.884 0.373 . . . . 1.0 110.621 179.795 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 11' ' ' TYR . 3.2 t30 -143.22 9.03 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 m-85 70.83 -40.44 0.47 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.623 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 61.94 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.528 179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -68.37 -63.17 3.7 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.782 -0.927 . . . . 1.0 110.782 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.34 -91.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.632 179.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -51.1 -20.13 1.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.521 -179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -58.0 -39.09 77.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -99.19 41.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.581 179.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 18' ' ' GLU . 2.4 t -141.42 125.6 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.8 pt-20 33.11 48.08 0.14 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.89 -0.596 . . . . 1.0 111.377 179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -75.09 50.11 0.47 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 51.53 69.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.556 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 3.1 p90 -141.0 7.55 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 23' ' ' ASP . 9.9 t -156.48 -37.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' N ' HG23 ' A' ' 22' ' ' THR . 1.2 t70 -64.57 -37.98 89.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.573 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CE3' ' A' ' 24' ' ' TRP . 7.3 p-90 -93.04 8.77 38.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.534 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.66 128.08 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.03 93.44 4.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.481 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.456 ' OG ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -52.12 -66.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.53 -179.908 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -99.82 -15.91 30.03 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 76.18 48.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.817 0.342 . . . . 1.0 110.713 -179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -158.5 19.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.774 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.8 mp -74.02 -34.36 2.02 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.491 179.705 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.8 Cg_endo -87.14 9.51 3.91 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 C-N-CA 122.306 2.004 . . . . 1.0 112.02 -179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.85 -58.18 2.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 73.4 mt -74.49 -43.6 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.5 179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -69.78 -18.45 63.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.548 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 36.7 ttm -92.88 -59.42 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.614 -179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.4 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.58 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 5.1 t -138.52 -36.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.524 179.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -67.75 -19.15 65.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.448 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.03 16.83 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.494 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 tp -163.67 50.35 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.626 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 -26.76 0.08 OUTLIER Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -123.91 -47.35 1.93 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.832 0.349 . . . . 1.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -42.6 -30.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.51 -88.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -159.14 97.58 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 1.0 110.612 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 168.47 66.74 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.8 mt -135.44 -29.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 1.0 110.513 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.1 m -79.46 17.34 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.574 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' C ' HD12 ' A' ' 50' ' ' LEU . 0.4 OUTLIER -147.14 11.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.607 179.994 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.607 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -103.42 -65.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.556 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.607 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.6 t -75.68 -34.42 60.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.523 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 17.3 t -64.24 -31.53 53.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.576 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -12.31 59.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.528 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 19.2 mtp180 -94.99 13.51 24.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.54 -179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 58' ' ' GLY . 41.5 mmtt -99.08 -56.28 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.593 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.69 -12.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.605 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' N ' ' C ' ' A' ' 56' ' ' LYS . . . 140.62 -80.81 0.26 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -171.11 61.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.82 0.343 . . . . 1.0 110.596 179.914 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.422 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 8.9 t-160 54.9 26.68 8.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.542 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.609 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.9 t-80 -166.9 -142.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.504 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.609 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 81.4 t60 54.98 104.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.582 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -176.28 50.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.61 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.221 -0.423 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.532 -179.982 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.366 -0.605 . . . . 1.0 109.366 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 51.27 42.26 28.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.509 -180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -47.99 116.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.506 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.29 -46.54 3.26 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 97.29 -96.08 1.79 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.21 4.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 1.0 110.646 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.6 OUTLIER -77.67 -75.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.524 -179.989 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -56.71 111.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.547 -179.936 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' TYR . 16.7 p-10 -101.81 10.74 39.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.604 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' O ' ' O ' ' A' ' 11' ' ' TYR . 4.3 m-85 67.94 -66.19 0.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.653 -179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 2.9 t80 56.06 159.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.595 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 40.82 26.62 0.15 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.752 -0.939 . . . . 1.0 110.752 -179.882 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -63.47 -27.46 69.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.825 0.345 . . . . 1.0 110.594 -179.921 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -58.15 -7.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 13' ' ' ALA . 34.8 t-20 -66.21 -39.29 89.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.508 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -100.15 41.81 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.618 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.486 ' C ' ' H ' ' A' ' 19' ' ' CYS . 5.7 t -92.42 -162.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.59 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.29 40.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.659 -179.88 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.486 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.2 p -70.36 -59.43 2.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.524 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.424 ' N ' ' SG ' ' A' ' 19' ' ' CYS . 24.0 mm-40 -127.98 -27.7 2.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.624 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -72.7 54.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.528 -179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.89 -48.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.541 -179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.81 -62.98 1.2 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.566 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -59.59 -19.78 51.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -41.72 126.68 3.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.562 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' HB3' ' H ' ' A' ' 29' ' ' ALA . 3.3 m -73.34 -73.12 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 76.18 -17.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.523 179.901 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -135.51 2.31 3.78 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.448 ' H ' ' HB3' ' A' ' 26' ' ' SER . . . -129.18 -6.4 4.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.655 0.264 . . . . 1.0 110.638 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' C ' HD13 ' A' ' 31' ' ' ILE . 2.6 mm? -111.05 -11.57 14.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.411 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -89.81 -38.93 0.42 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.407 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.9 Cg_endo -82.38 28.12 0.58 Allowed 'Trans proline' 0 C--N 1.313 -1.313 0 C-N-CA 122.228 1.952 . . . . 1.0 111.895 -179.83 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -142.98 -51.0 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.276 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.16 -58.6 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.39 179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -49.89 -23.8 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.4 179.913 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.484 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 7.6 ttm -89.51 -44.94 9.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.488 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 mt -55.22 -16.44 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.445 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.502 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.0 t -102.23 -7.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 43' ' ' THR . 83.9 t80 -65.96 -28.71 69.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 -179.952 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.4 -5.39 15.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.486 -179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -135.16 76.92 1.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 151.87 -14.18 0.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 44' ' ' THR . 7.8 t -135.29 -48.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.797 0.332 . . . . 1.0 110.571 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.597 ' N ' HG23 ' A' ' 43' ' ' THR . 1.6 m -54.76 -28.48 49.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.312 179.859 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 133.38 50.91 0.08 OUTLIER Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.769 -0.932 . . . . 1.0 110.769 179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -40.16 -63.28 0.63 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.859 0.361 . . . . 1.0 110.552 179.876 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' C ' HD22 ' A' ' 48' ' ' LEU . . . -146.0 36.89 1.28 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.467 HD22 ' C ' ' A' ' 47' ' ' GLY . 4.1 mm? -103.93 -13.09 16.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.702 0.287 . . . . 1.0 110.573 -179.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.1 m -97.53 16.35 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.896 -179.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.483 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -143.13 7.51 1.59 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.611 -179.963 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CG ' ' N ' ' A' ' 52' ' ' THR . 6.4 t90 -103.72 -80.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.609 -179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.522 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.1 t -65.29 -35.01 79.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.556 -179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.37 -21.28 28.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.589 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -78.99 -13.56 59.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.506 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.58 27.1 2.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.571 -179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -89.83 -48.89 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.326 -179.922 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -57.07 -5.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.577 179.973 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 56.34 -87.51 0.01 OUTLIER Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -169.36 105.0 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 1.0 110.508 -179.988 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.415 ' ND1' ' O ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -160.71 -67.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.491 179.99 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 60' ' ' HIS . 1.4 t-160 61.03 133.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.541 -179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -94.97 -172.01 2.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.586 179.984 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' CD2' ' O ' ' A' ' 62' ' ' HIS . 0.9 OUTLIER -149.09 42.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.568 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.594 -179.975 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -76.78 49.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -48.99 163.06 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.614 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.11 21.48 10.88 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -86.23 142.32 18.86 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -55.91 -168.51 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 1.0 110.59 179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 9' ' ' ASN . 10.2 m-85 62.66 -71.2 0.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.629 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 6' ' ' ASP . 2.5 m-20 -57.95 79.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' PHE . 0.6 OUTLIER -86.28 -1.02 57.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.558 179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 12' ' ' GLY . 7.1 m-85 64.63 -69.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER 62.08 -71.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.575 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -57.01 -62.61 6.18 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.764 -0.934 . . . . 1.0 110.764 179.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 41.35 -91.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.707 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -55.03 -45.19 75.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.598 179.928 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -52.19 -37.97 56.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.528 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -100.9 41.71 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 19' ' ' CYS . 50.1 m -139.19 140.2 37.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.561 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -54.4 83.83 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.524 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.5 p -77.49 60.28 2.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.6 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 41.77 46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.62 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -144.72 22.77 1.61 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.606 179.994 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.0 t -166.43 -35.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.567 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -70.12 -34.63 73.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.534 -179.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 13.9 p-90 -97.07 -45.33 6.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.682 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 39.05 -90.18 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.018 179.882 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 m 66.36 92.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.532 -179.985 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.5 t -43.84 -62.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.647 -179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.649 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -136.69 9.19 3.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.969 -0.853 . . . . 1.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 81.22 55.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.009 0.433 . . . . 1.0 110.817 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.833 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.2 pt? -144.74 29.7 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.619 179.558 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.656 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -78.74 -38.79 1.48 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.872 179.724 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 55.2 Cg_endo -86.59 10.65 3.54 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.427 2.085 . . . . 1.0 112.011 -179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.75 -27.87 7.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.39 179.855 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' HG23 ' A' ' 38' ' ' VAL . 66.0 mt -105.83 -49.57 8.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.445 179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.1 -23.14 67.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.557 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 74.1 mtp -92.04 -51.9 4.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.607 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.72 33.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.585 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 34' ' ' ILE . 25.6 t -137.22 -16.91 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.54 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -104.16 -58.08 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.584 179.951 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -86.51 10.21 16.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.619 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' A' ' 41' ' ' LEU . 38.4 tp -140.0 -37.02 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.43 -179.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -44.37 -43.74 7.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.58 HG23 ' N ' ' A' ' 44' ' ' THR . 9.7 t -148.66 -46.89 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.853 0.358 . . . . 1.0 110.644 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.58 ' N ' HG23 ' A' ' 43' ' ' THR . 7.2 m -58.09 -12.96 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.483 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -51.02 -19.74 3.88 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.19 15.7 2.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 1.0 110.612 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.43 14.05 58.81 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 -179.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -92.51 -1.99 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 1.0 110.498 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 75.2 t -103.15 -4.4 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.626 -179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.25 12.05 3.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.646 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' CG ' ' N ' ' A' ' 52' ' ' THR . 18.6 t90 -99.66 -84.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.528 179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.45 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 10.0 t -60.54 -31.13 70.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.508 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.16 -39.63 84.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.508 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.72 29.12 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 mtt-85 -137.83 -33.34 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.578 -179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 0.0 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttp -54.45 -19.11 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.561 -179.983 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.12 -57.93 0.88 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.594 ' CE1' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -138.23 -101.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.742 0.305 . . . . 1.0 110.581 -179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 2.4 p80 -161.41 -95.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.529 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.447 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 14.8 m170 -96.55 154.72 17.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.582 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.594 ' ND1' ' CE1' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -167.65 -178.89 4.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 -179.965 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -160.66 60.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.588 179.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.622 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 ttp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -100.2 42.51 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.613 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -54.52 144.73 20.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.49 -26.18 72.42 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -178.8 105.86 0.2 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.888 -0.885 . . . . 1.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -4.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 1.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.479 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.1 OUTLIER -60.34 -49.19 78.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.655 179.974 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -56.66 119.47 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.459 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.4 OUTLIER -158.94 -44.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.587 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' N ' ' A' ' 12' ' ' GLY . 53.9 m-85 -87.13 -35.82 18.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.607 179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 68.06 -66.37 0.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.538 -180.0 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -91.39 65.0 2.52 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -135.2 -36.46 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.804 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -52.05 -21.88 3.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.571 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -53.13 58.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -94.37 43.39 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.563 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -143.55 -162.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.566 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 82.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.516 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -137.91 33.29 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.472 179.94 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.05 -36.2 0.42 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 61.2 m-85 -82.68 -49.81 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.461 179.846 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' ' N ' ' A' ' 24' ' ' TRP . 2.7 p -46.99 -33.4 4.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.571 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.03 -22.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.9 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 24' ' ' TRP . 3.0 p-90 -140.51 -74.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.838 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.475 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 3.5 mtmt 40.23 94.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.923 0.392 . . . . 1.0 110.781 -179.906 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.48 82.5 5.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.559 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -43.39 -70.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.638 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.657 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -108.54 -3.44 32.71 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.036 -0.826 . . . . 1.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.18 49.98 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.954 0.407 . . . . 1.0 110.741 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.84 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -140.61 27.0 2.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.172 179.404 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -74.73 -34.6 1.83 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.666 -179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.6 Cg_endo -83.41 27.78 0.6 Allowed 'Trans proline' 0 C--N 1.315 -1.188 0 C-N-CA 122.017 1.811 . . . . 1.0 111.83 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.39 -67.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.163 179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.777 ' N ' HD13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -67.07 -48.36 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.011 179.696 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -68.39 -20.7 64.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.565 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 23.0 ttm -88.45 -60.26 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.597 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.7 mt -71.31 40.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.625 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' H ' ' C ' ' A' ' 36' ' ' MET . 14.8 t -141.8 -24.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -89.2 -38.14 14.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.5 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.33 -1.7 28.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.639 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -142.38 15.33 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.685 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -143.67 13.37 2.21 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.934 -0.867 . . . . 1.0 110.934 -179.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 m -158.57 -42.88 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 1.0 110.508 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -75.4 -25.23 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.522 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -46.24 -36.48 7.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -137.95 4.65 2.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.342 . . . . 1.0 110.605 179.912 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.24 24.49 2.07 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.883 -0.887 . . . . 1.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 46' ' ' ASN . 35.0 mt -101.99 -4.78 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.732 0.301 . . . . 1.0 110.519 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 92.9 t -95.02 -3.26 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.468 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 pp -130.5 -30.89 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.497 ' HE1' ' HE ' ' A' ' 55' ' ' ARG . 15.5 t90 -59.79 -72.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.514 179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.463 ' H ' HG22 ' A' ' 52' ' ' THR . 0.1 OUTLIER -48.86 -48.51 41.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.529 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.456 ' H ' HG23 ' A' ' 53' ' ' VAL . 5.6 t -51.07 -54.36 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.524 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -46.66 -27.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.518 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' HE ' ' HE1' ' A' ' 51' ' ' TRP . 15.6 mtt-85 -92.7 -59.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.496 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 58' ' ' GLY . 19.7 mmtt -49.17 -23.21 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.93 40.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.719 -179.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.488 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -91.67 41.22 2.86 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -101.5 -89.02 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 1.0 110.528 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.35 140.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.597 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -50.01 -63.73 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.525 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 30.1 t60 -166.02 88.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.631 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.8 t60 -159.89 55.57 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.562 -179.964 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mmt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.404 -0.591 . . . . 1.0 109.404 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 53.7 tt0 -95.63 73.39 3.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -56.79 162.67 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.562 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.97 -24.0 0.29 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 61.2 114.19 0.01 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.32 -4.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 1.0 110.527 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.467 ' H ' ' C ' ' A' ' 5' ' ' GLY . 15.5 p90 -165.45 30.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.62 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.05 138.05 16.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.547 179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' C ' ' CG ' ' A' ' 10' ' ' TYR . 43.2 t-20 -95.59 27.02 3.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.569 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.464 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER 68.26 -66.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.592 -179.923 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.418 ' N ' ' O ' ' A' ' 9' ' ' ASN . 1.1 t80 71.46 -64.16 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.604 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.64 64.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -41.69 -28.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 1.0 110.579 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.13 -17.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.54 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' N ' ' C ' ' A' ' 13' ' ' ALA . 1.4 t30 -71.82 -54.08 11.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.521 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -98.07 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.567 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 19' ' ' CYS . 72.9 m -147.3 174.23 11.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.536 -179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 1.8 pt-20 -53.8 84.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.609 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 4.7 t -97.31 -40.27 8.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.604 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -146.22 55.47 1.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.574 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -137.89 12.87 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.532 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -149.32 -48.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.55 -179.979 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -73.86 17.51 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.603 -179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 3.2 p-90 -143.17 20.99 1.92 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.63 116.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.516 179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -102.2 91.36 4.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.9 t -66.09 -91.33 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.559 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.638 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -50.75 -27.53 13.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.76 46.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.369 . . . . 1.0 110.679 -179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.597 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.83 17.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.799 179.775 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.612 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.99 -37.91 6.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.297 179.8 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.612 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.4 Cg_endo -84.9 5.16 6.41 Favored 'Trans proline' 0 C--N 1.313 -1.306 0 C-N-CA 122.37 2.047 . . . . 1.0 111.95 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.23 -28.27 8.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.89 -0.596 . . . . 1.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.45 -56.74 4.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.14 179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 26.6 t80 -63.01 -15.4 56.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.484 ' C ' ' H ' ' A' ' 38' ' ' VAL . 38.1 ttm -91.75 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.581 179.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.22 40.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.553 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 36' ' ' MET . 6.6 t -137.39 -39.34 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.559 179.965 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -73.82 -16.01 61.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.521 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.2 2.27 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.559 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.1 tp -145.48 32.36 1.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.604 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -168.93 24.95 0.11 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -174.16 -29.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 1.0 110.516 179.993 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.5 m -84.4 -25.82 28.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.553 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -42.09 -27.37 0.41 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.955 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -137.54 18.01 2.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.03 30.97 8.15 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.9 mm? -93.9 2.88 56.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 1.0 110.555 -179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.1 t -100.11 -37.19 5.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.64 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -96.94 -0.18 47.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.67 -179.847 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -84.01 -51.93 6.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 1.0 110.482 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 52' ' ' THR . 0.1 OUTLIER -69.98 -38.16 75.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.505 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 75.2 t -74.35 -19.97 17.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.596 ' CD2' ' N ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER -68.92 -63.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.564 -179.916 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.596 ' N ' ' CD2' ' A' ' 54' ' ' PHE . 0.4 OUTLIER -59.74 -2.04 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.951 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.585 ' CD ' ' H ' ' A' ' 58' ' ' GLY . 0.5 OUTLIER -98.05 -62.4 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.152 -179.968 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.06 21.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.816 179.629 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.585 ' H ' ' CD ' ' A' ' 56' ' ' LYS . . . -53.09 93.65 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 179.878 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -152.57 -71.34 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.331 . . . . 1.0 110.627 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.42 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 51.6 t-80 -148.28 77.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -53.61 133.56 41.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.473 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -82.82 -62.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 179.937 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 89.3 m-70 -158.47 44.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.468 ' CG ' ' OXT' ' A' ' 64' ' ' HIS . 2.5 p80 . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.565 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mpt? . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 48.77 40.95 17.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.889 -179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -169.9 126.88 0.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.149 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.81 -32.76 4.62 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.472 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 161.23 106.77 0.21 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.79 -3.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.0 110.631 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER -137.7 10.45 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.531 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 18.0 p30 -50.67 87.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.564 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' TYR . 57.1 t30 -155.94 31.08 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.542 179.944 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 98.4 m-85 54.4 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.542 179.972 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.508 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.1 t80 73.59 143.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.03 32.07 2.27 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.64 -50.5 50.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 1.0 110.531 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -25.78 7.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.626 179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -34.98 48.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.546 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -101.3 41.73 1.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.593 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.481 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 41.8 t -156.16 -168.17 2.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.645 179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.481 ' N ' ' OG ' ' A' ' 17' ' ' SER . 1.4 pt-20 -42.21 98.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.578 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' SER . 39.1 t -138.0 54.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 58.4 34.28 23.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.548 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.519 ' O ' ' CG ' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -138.43 11.2 2.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.541 179.989 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 24' ' ' TRP . 9.0 t -158.15 -36.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.619 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 22' ' ' THR . 0.2 OUTLIER -55.13 -6.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.592 -179.981 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 22.1 p-90 -139.4 37.62 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 26' ' ' SER . 1.9 tpmt? -70.02 94.49 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.555 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.8 p 80.12 131.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.4 -179.897 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.7 m -72.67 17.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.653 -179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.671 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 139.92 -4.1 2.63 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.85 27.05 0.23 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.709 0.29 . . . . 1.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -104.29 -3.05 24.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.364 179.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.5 mp -69.69 -35.39 5.46 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.442 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.2 Cg_exo -65.37 -19.26 61.59 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 121.901 1.734 . . . . 1.0 112.152 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -105.0 -71.03 0.75 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.99 -179.638 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -40.85 -28.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.64 -179.699 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 37' ' ' LEU . 38.4 t80 -85.57 -73.22 0.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.767 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.447 ' SD ' ' C ' ' A' ' 36' ' ' MET . 3.6 ppp? -41.88 -24.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.745 -179.772 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 35' ' ' TYR . 5.6 mt -72.62 -49.97 28.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.556 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 42' ' ' GLY . 42.3 t -57.89 -27.4 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.589 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.99 -52.96 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.582 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.96 -6.13 15.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.601 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -136.91 26.11 3.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.541 -179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -140.08 5.73 2.77 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -165.02 -36.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 1.0 110.588 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 m -73.48 -25.77 60.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -41.26 -59.94 2.46 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -105.39 65.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 1.0 110.619 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -141.32 -36.0 0.1 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 -179.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.491 ' C ' ' H ' ' A' ' 50' ' ' LEU . 1.9 pp -100.99 -20.23 15.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.969 0.414 . . . . 1.0 110.734 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -48.94 -10.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.7 mp -88.84 7.14 35.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.747 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.525 ' O ' ' CD1' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -114.74 -34.49 5.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.482 179.984 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 52' ' ' THR . 0.2 OUTLIER -81.28 -41.77 21.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.547 179.862 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.9 t -56.84 -18.59 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -87.87 -7.58 57.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.512 -179.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -97.74 -32.07 11.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.616 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -82.22 -70.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.588 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 tttt 40.79 38.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.691 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.01 60.82 4.09 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 59' ' ' HIS . 0.3 OUTLIER -140.49 -1.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 1.0 110.587 179.969 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -168.55 83.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.524 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.15 154.22 17.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.564 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.654 ' CD2' ' H ' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -62.87 163.64 9.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.593 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.569 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 13.5 t-80 -172.01 41.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.581 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.654 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 5.2 t-160 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.993 -1.003 . . . . 1.0 110.629 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -93.14 95.56 9.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.5 166.5 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.92 -21.49 1.65 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 150.04 150.17 5.2 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -44.72 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.319 . . . . 1.0 110.552 179.935 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 21.8 p90 -138.21 118.05 13.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.616 -179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' C ' ' N ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -164.48 -174.91 3.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.56 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.2 t30 48.12 12.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.733 179.924 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 74.3 m-85 -158.27 -39.56 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 70.1 t80 53.4 -89.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.55 -179.985 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.559 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -65.64 -68.96 1.47 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . 66.68 36.83 4.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 1.0 110.571 179.996 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.2 OUTLIER 44.56 18.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.498 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ALA . 2.4 t-20 -84.15 -44.4 14.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.592 179.967 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -101.14 42.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.584 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -138.76 125.73 21.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.534 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 41.69 48.26 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.4 t -98.01 51.98 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.579 -179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 48.81 40.03 15.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.63 -179.943 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 8.9 p90 -105.43 18.76 21.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.577 -179.988 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -140.56 -39.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.601 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -64.85 -67.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.587 -179.987 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 2.7 p-90 -45.87 -39.43 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.71 -179.953 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' N ' ' CD1' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 40.21 -129.03 0.38 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.76 179.937 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.463 ' H ' ' CG ' ' A' ' 25' ' ' LYS . 6.5 m -166.88 112.91 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.601 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.3 m -59.45 -4.73 0.65 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.264 179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.653 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 132.12 33.76 0.4 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.653 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 79.71 24.74 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.834 0.35 . . . . 1.0 110.44 -179.857 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 30' ' ' LEU . 4.3 mm? -102.14 18.0 21.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.315 179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.9 mp -79.49 -33.63 0.84 Allowed Pre-proline 0 CA--C 1.533 0.315 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.751 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 64.0 Cg_endo -87.58 23.46 0.8 Allowed 'Trans proline' 0 C--N 1.315 -1.21 0 C-N-CA 122.333 2.022 . . . . 1.0 112.176 -179.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -137.48 -35.36 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.518 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 38' ' ' VAL . 95.7 mt -91.05 -57.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.596 179.968 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.98 -15.24 58.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.923 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 48.7 mtp -88.76 -62.84 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.592 -179.954 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.7 mt -72.86 38.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.534 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.486 ' H ' ' C ' ' A' ' 36' ' ' MET . 25.1 t -137.88 -18.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.506 179.959 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -103.82 -54.38 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.54 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.36 12.57 24.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.528 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.4 tp -146.45 -38.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.577 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -43.96 -34.07 2.88 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 44' ' ' THR . 8.2 t -139.54 -36.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 1.0 110.461 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.47 ' O ' HG22 ' A' ' 44' ' ' THR . 7.7 m -72.68 -10.59 59.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.409 179.861 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -78.72 16.5 8.11 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -160.03 121.47 3.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 1.0 110.616 -179.952 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' C ' HD22 ' A' ' 48' ' ' LEU . . . 106.29 -44.75 1.41 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.857 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.0 OUTLIER -107.88 45.26 1.02 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.787 0.327 . . . . 1.0 110.323 179.919 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.91 6.24 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.459 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.3 mp -130.34 -3.04 4.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.416 -179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -107.38 -34.06 7.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.532 -179.94 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 t -93.42 -14.82 26.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.594 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 32.0 t -92.31 -16.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.625 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 9.4 m-85 -86.24 -7.77 58.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.547 179.958 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -95.26 -46.07 6.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.5 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' O ' ' CD2' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -68.6 -15.22 63.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.563 179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' C ' ' H ' ' A' ' 59' ' ' HIS . 1.6 tmtp? -57.61 -24.07 54.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.578 179.897 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.05 40.5 0.56 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 179.973 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -139.92 -17.97 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.736 0.303 . . . . 1.0 110.614 179.996 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -102.13 5.69 40.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.555 179.999 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.435 ' ND1' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -50.38 -177.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.567 -179.955 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 62' ' ' HIS . 7.4 p80 -100.77 21.46 13.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.605 179.979 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -163.23 42.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.612 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 3' ' ' GLU . 3.8 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.359 -0.608 . . . . 1.0 109.359 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.438 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.0 mp0 -68.54 66.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.594 179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 1' ' ' MET . 5.0 mm-40 -50.61 150.64 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.41 -14.38 2.05 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -138.2 89.72 0.2 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.79 2.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 1.0 110.582 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.487 ' H ' ' C ' ' A' ' 5' ' ' GLY . 8.8 t80 -102.32 -58.42 1.88 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.59 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -56.09 131.65 48.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 8.4 t-20 -138.16 -44.9 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.551 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 9' ' ' ASN . 77.1 m-85 -157.28 -43.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 179.994 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 1.6 t80 67.16 126.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.543 179.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.89 33.4 56.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.56 -35.9 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 1.0 110.558 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -54.68 -15.78 2.06 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.74 -38.21 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.552 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -100.62 42.31 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -143.1 173.92 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -45.64 105.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.69 -39.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.579 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -149.22 38.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.573 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -139.17 13.91 2.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.539 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -172.17 -34.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.56 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.22 27.32 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.57 179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 7.8 p-90 -159.82 30.51 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.509 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -48.34 -59.39 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.552 -179.988 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 83.9 p -160.13 -76.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.513 ' N ' ' OG ' ' A' ' 26' ' ' SER . 0.4 OUTLIER 74.24 29.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.608 179.825 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' H ' HG13 ' A' ' 31' ' ' ILE . . . 126.06 14.71 2.98 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.594 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -94.06 -64.4 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.743 0.306 . . . . 1.0 110.572 -179.942 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' HD12 ' A' ' 34' ' ' ILE . 2.0 pp -100.54 -2.47 32.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.584 -179.884 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -69.15 -38.27 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.159 179.997 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 57.2 Cg_endo -87.28 22.46 0.92 Allowed 'Trans proline' 0 C--N 1.312 -1.37 0 C-N-CA 122.454 2.103 . . . . 1.0 111.785 179.857 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -130.23 -32.52 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.855 -0.612 . . . . 1.0 110.468 -179.925 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 36.3 mt -101.62 -35.15 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -82.02 -32.73 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.642 179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.472 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.9 tpp -76.9 -48.82 17.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.614 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 33' ' ' ALA . 37.7 mt -74.68 20.9 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.584 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.517 ' O ' ' N ' ' A' ' 42' ' ' GLY . 63.2 t -138.95 -25.43 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -69.11 -44.74 71.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.533 -179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.4 8.21 41.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mt -137.38 4.02 2.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -84.53 -35.14 14.52 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 t -149.47 -32.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 1.0 110.566 -179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.819 HG23 HD12 ' A' ' 48' ' ' LEU . 1.9 m -66.88 -46.82 73.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.632 179.951 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -53.03 -12.29 1.77 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -142.37 92.48 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.773 0.32 . . . . 1.0 110.516 -179.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.07 -35.06 1.09 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.935 -0.866 . . . . 1.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 44' ' ' THR . 23.6 mt -100.06 8.77 43.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 1.0 110.585 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 72.6 t -98.6 -22.78 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 -179.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 pp -99.48 -14.3 19.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.531 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.736 ' HE1' HH21 ' A' ' 55' ' ' ARG . 0.9 OUTLIER -84.81 -71.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.591 179.978 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.612 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 6.9 t -47.96 -21.97 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.606 -179.973 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.502 ' C ' ' H ' ' A' ' 55' ' ' ARG . 5.5 t -83.95 -27.64 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.525 -179.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' TRP . 18.2 t80 -69.93 9.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.123 179.688 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.736 HH21 ' HE1' ' A' ' 51' ' ' TRP . 1.6 mpt_? -103.46 -46.56 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.834 -179.877 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -70.9 -22.34 62.28 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.713 -0.395 . . . . 1.0 110.811 -179.73 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -70.93 40.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.682 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . -71.79 74.97 0.75 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.906 -0.878 . . . . 1.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.3 m170 47.0 16.4 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.814 0.34 . . . . 1.0 110.566 179.987 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.462 ' N ' ' C ' ' A' ' 58' ' ' GLY . 0.2 OUTLIER -91.32 13.32 17.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.546 179.976 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.519 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.9 t-160 46.33 -140.18 0.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 1.4 t60 -71.18 -67.57 0.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.529 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 5.4 p-80 -157.23 44.35 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.582 -179.961 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.964 -1.017 . . . . 1.0 110.566 -179.987 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -90.29 81.49 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.574 179.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.64 110.76 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.58 -179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.68 46.43 0.24 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.875 . . . . 1.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -102.16 -165.99 26.76 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 7' ' ' PHE . 3.1 t0 41.99 21.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 1.0 110.559 -179.982 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.541 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 60.67 124.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.59 -179.988 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -163.82 97.77 0.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.538 179.923 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' C ' ' H ' ' A' ' 11' ' ' TYR . 11.3 t-20 -127.88 -19.31 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 -179.907 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' O ' ' O ' ' A' ' 11' ' ' TYR . 0.1 OUTLIER 68.66 -39.39 0.41 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.683 179.995 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' H ' ' C ' ' A' ' 9' ' ' ASN . 3.8 t80 53.27 169.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.807 0.337 . . . . 1.0 110.686 179.716 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.403 ' N ' ' CD1' ' A' ' 11' ' ' TYR . . . 40.48 29.49 0.25 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.464 ' C ' ' N ' ' A' ' 15' ' ' ASN . . . -71.25 -155.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 1.0 110.531 -179.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 t0 46.44 15.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.497 179.912 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' N ' ' C ' ' A' ' 13' ' ' ALA . 17.1 t-20 -95.69 -35.46 11.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.387 179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -107.01 39.73 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.51 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.2 m -140.45 165.76 26.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 3.1 pt-20 -54.3 108.33 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.569 -179.973 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.418 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 29.9 t -93.67 -59.73 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.592 179.974 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 62.2 mt-10 -149.73 35.57 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.53 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.607 ' CD1' ' N ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -103.7 5.0 35.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.553 -179.999 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 24' ' ' TRP . 0.1 OUTLIER -165.11 -46.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.938 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' OD2' ' O ' ' A' ' 19' ' ' CYS . 3.1 p-10 -75.37 28.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.62 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 20' ' ' GLU . 5.5 p-90 -133.8 7.22 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.51 111.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.498 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.454 ' OG ' ' CZ3' ' A' ' 24' ' ' TRP . 1.7 m -101.73 90.9 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.628 -179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.14 -76.62 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.578 179.913 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.667 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -75.03 -10.82 84.17 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.877 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 80.32 41.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.779 0.323 . . . . 1.0 110.812 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -157.4 16.92 0.27 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.881 179.657 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.61 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -71.12 -36.9 5.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.024 179.868 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.61 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.3 Cg_exo -61.2 -17.56 53.26 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.053 1.835 . . . . 1.0 111.757 179.752 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -87.17 -80.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.651 -179.912 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 -33.51 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.692 -179.888 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -73.83 -38.4 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.562 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.476 ' C ' ' H ' ' A' ' 38' ' ' VAL . 13.0 ttm -62.83 -35.51 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.609 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -74.21 19.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.535 179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 46.1 t -138.99 -13.27 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.55 179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -79.36 -58.41 3.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.547 179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -79.6 7.64 7.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mt -135.08 4.2 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.598 179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -85.02 -39.7 8.43 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 44' ' ' THR . 6.2 t -146.58 -39.78 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.742 0.306 . . . . 1.0 110.544 179.969 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.445 ' N ' ' CG2' ' A' ' 43' ' ' THR . 2.4 m -59.0 -26.76 64.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.552 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.92 41.45 2.34 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -142.1 -35.15 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.722 -179.819 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 49' ' ' VAL . . . -135.11 -143.11 4.7 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.698 -0.961 . . . . 1.0 110.698 179.843 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' ' 50' ' ' LEU . 60.2 mt 61.28 -67.76 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.526 0.203 . . . . 1.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.3 p -71.23 29.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.676 0.274 . . . . 1.0 111.042 -179.605 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 48' ' ' LEU . 1.8 pp -174.76 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.3 t90 -86.49 -80.96 0.23 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.582 -179.85 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -54.53 -11.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.809 0.337 . . . . 1.0 110.694 -179.702 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.2 t -91.73 -33.11 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.569 -179.944 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CG ' ' O ' ' A' ' 54' ' ' PHE . 56.9 t80 -68.91 -6.05 25.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.585 179.984 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.41 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -93.57 -33.01 13.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.483 -179.962 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 58' ' ' GLY . 20.6 mttm -79.81 -69.33 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.526 -179.975 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER 40.71 24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.64 179.948 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -65.82 68.35 0.12 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.957 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.2 m170 47.79 30.01 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.332 . . . . 1.0 110.484 -179.908 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -178.41 172.1 1.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.516 -179.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -75.66 -30.57 59.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -162.76 174.27 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -162.13 43.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.504 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.054 -0.975 . . . . 1.0 110.537 179.985 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.416 -0.587 . . . . 1.0 109.416 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 47.77 49.6 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -51.96 152.24 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.546 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.19 48.78 1.82 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . -142.39 -120.3 1.56 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -59.39 77.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.693 0.282 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 0.0 OUTLIER -167.21 -41.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.548 -179.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 6.4 t0 -55.35 119.07 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.586 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' O ' ' N ' ' A' ' 11' ' ' TYR . 29.4 t-20 -139.62 6.24 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m-85 55.41 -81.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.536 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' ASN . 2.2 t80 78.62 -65.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.567 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.46 36.6 0.98 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 11' ' ' TYR . . . -78.36 -151.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 1.0 110.529 -179.934 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.82 -9.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.626 179.961 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -55.96 -5.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.597 -179.976 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' H ' ' C ' ' A' ' 14' ' ' ASP . 25.7 mt-30 -136.62 43.23 2.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.528 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -149.16 133.9 17.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.951 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' SER . 7.6 pt-20 33.11 40.23 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.305 179.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.8 t -67.3 -61.33 1.97 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.551 -179.987 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -141.4 70.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -148.45 16.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.498 179.934 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -172.17 -45.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.589 -179.968 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.37 -40.62 85.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.618 -180.0 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.427 ' CD2' ' C ' ' A' ' 24' ' ' TRP . 9.2 p-90 -60.29 -30.99 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.559 -179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 18.8 ttmt -40.38 116.18 0.65 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 27' ' ' SER . 4.4 m -75.51 -79.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.533 179.996 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 1.6 p 78.39 -14.0 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.627 179.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -153.75 15.38 0.62 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.035 -0.826 . . . . 1.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.457 ' HB3' ' OG ' ' A' ' 26' ' ' SER . . . -101.52 -68.66 0.81 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.787 0.327 . . . . 1.0 110.614 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.17 4.16 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.6 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.1 mp -65.16 -40.97 49.58 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.72 179.905 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.3 Cg_exo -59.73 -47.34 16.29 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.289 1.993 . . . . 1.0 112.059 179.989 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.576 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -49.33 -33.0 12.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.46 -179.868 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' O ' ' CG2' ' A' ' 38' ' ' VAL . 3.7 mp -93.82 -33.33 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.272 179.904 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -78.61 -59.81 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.362 179.839 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.527 ' N ' ' O ' ' A' ' 32' ' ' PRO . 41.9 ttm -49.31 -51.68 32.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.479 179.726 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 33' ' ' ALA . 45.3 mt -71.13 15.51 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.825 -179.694 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 38.8 t -136.47 -14.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.475 179.922 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 48.8 t80 -69.57 -15.8 63.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.462 179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.21 -6.29 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.508 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 46' ' ' ASN . 9.9 mt -137.96 76.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 -179.941 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.6 -18.69 0.36 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.959 -0.857 . . . . 1.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.552 HG23 ' N ' ' A' ' 44' ' ' THR . 13.1 t -137.29 -44.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 1.0 110.464 179.898 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.552 ' N ' HG23 ' A' ' 43' ' ' THR . 5.1 m -52.82 -9.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.27 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.48 ' H ' ' C ' ' A' ' 43' ' ' THR . . . 113.38 0.83 24.93 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 HD22 HD23 ' A' ' 41' ' ' LEU . 2.4 t-20 40.37 62.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.754 0.311 . . . . 1.0 110.656 179.885 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.71 41.94 0.05 OUTLIER Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD12 HG22 ' A' ' 44' ' ' THR . 6.4 mt -137.95 -47.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.751 0.31 . . . . 1.0 110.569 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -56.96 -16.94 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.619 -179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.9 pp -109.56 1.6 19.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.953 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' ' 52' ' ' THR . 24.7 t90 -87.51 -100.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.32 179.91 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.6 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -40.46 -33.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.476 179.796 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.8 t -61.11 -51.61 71.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.646 179.925 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.9 m-85 -53.94 -20.51 6.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.65 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -103.45 -24.3 13.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.294 179.955 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.5 tptp -66.6 -59.45 3.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.52 34.62 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.45 ' C ' ' CD2' ' A' ' 59' ' ' HIS . . . -99.3 56.49 0.91 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.866 -0.893 . . . . 1.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 58' ' ' GLY . 24.4 m-70 -142.89 -27.89 0.58 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.794 0.331 . . . . 1.0 110.641 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -140.88 77.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.663 179.896 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.32 113.84 27.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.536 179.994 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -93.87 178.79 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.594 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -169.69 41.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.549 -179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 117.984 -1.007 . . . . 1.0 110.551 -179.965 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 2' ' ' GLU . 0.1 OUTLIER 62.75 41.7 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.51 179.944 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -42.14 153.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . -176.58 28.87 0.07 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 4' ' ' GLY . . . -55.43 -163.01 0.02 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.9 -35.71 71.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 1.0 110.545 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.402 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 17.9 p90 -139.91 -22.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.597 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -57.08 106.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.579 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 7' ' ' PHE . 3.8 m-20 -100.59 -50.13 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.549 -179.928 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.714 ' CB ' ' HB3' ' A' ' 13' ' ' ALA . 1.1 m-85 -137.94 -33.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 -179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.5 t80 64.52 105.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.608 -179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.83 -28.79 3.13 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.835 -0.906 . . . . 1.0 110.835 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.714 ' HB3' ' CB ' ' A' ' 10' ' ' TYR . . . -86.36 -18.74 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.779 0.323 . . . . 1.0 110.616 -179.99 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -59.26 -14.09 10.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -57.96 -36.35 72.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.945 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -101.33 42.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.607 179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.52 153.35 23.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 45.25 40.49 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.527 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 1.3 m -128.5 79.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.222 179.833 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.484 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 6.0 mm-40 57.07 15.13 2.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.451 -179.742 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 61.9 m-85 -105.78 94.25 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.196 179.686 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.649 ' H ' ' HE1' ' A' ' 24' ' ' TRP . 0.4 OUTLIER 69.82 -12.29 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.475 -179.76 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.496 ' OD2' ' N ' ' A' ' 21' ' ' TYR . 1.2 p30 -85.23 27.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.553 179.789 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.649 ' HE1' ' H ' ' A' ' 22' ' ' THR . 4.8 p-90 -142.66 -67.71 0.37 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.959 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 25.4 mmtt 52.19 10.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.577 -179.992 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 28' ' ' GLY . 1.7 p 174.34 -78.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.629 179.982 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.34 -2.85 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 26' ' ' SER . . . -166.4 23.52 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.54 -27.65 12.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 1.0 110.579 179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -137.63 3.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.638 -179.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.3 mm -75.43 -35.73 1.92 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.27 179.725 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.9 Cg_exo -61.33 -3.99 3.71 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 122.079 1.852 . . . . 1.0 111.925 -179.98 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.72 -77.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.698 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -64.13 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.683 -179.862 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -51.98 -45.06 64.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.629 -179.932 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.597 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 14.5 ttp -61.8 -34.95 76.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.54 -179.912 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 41' ' ' LEU . 11.3 mt -74.78 38.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.534 179.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' O ' HG22 ' A' ' 43' ' ' THR . 57.9 t -136.74 -36.2 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.562 179.895 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.497 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 5.1 t80 -63.2 -22.05 66.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.265 179.77 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 pp -135.53 5.16 3.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.217 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 37' ' ' LEU . 5.8 tp -152.6 69.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.43 -179.916 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.51 -23.02 0.11 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.934 -0.866 . . . . 1.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.564 HG23 ' N ' ' A' ' 44' ' ' THR . 10.1 t -130.86 -44.87 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.342 . . . . 1.0 110.444 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.564 ' N ' HG23 ' A' ' 43' ' ' THR . 1.3 t -52.41 -10.56 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.075 179.785 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . . . 112.63 50.83 0.55 Allowed Glycine 0 CA--C 1.521 0.418 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -54.84 81.24 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 45' ' ' GLY . . . 149.67 -14.94 1.06 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -90.85 -22.89 20.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.824 0.345 . . . . 1.0 110.495 -179.938 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 m -93.58 20.04 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.532 -179.912 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.9 mp -132.31 -1.69 3.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CG ' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -101.91 -59.87 1.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.557 -179.949 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.613 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 5.3 t -78.29 -34.12 49.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.604 179.899 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.84 -18.68 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.82 -14.66 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.522 -179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.6 mtt-85 -95.49 -22.46 17.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.574 -179.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' C ' ' H ' ' A' ' 58' ' ' GLY . 22.6 mttm -68.83 -53.5 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.58 179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -2.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.993 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.486 ' H ' ' C ' ' A' ' 56' ' ' LYS . . . 72.56 -91.29 0.56 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -172.37 29.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 1.0 110.58 -179.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.81 -179.2 5.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -143.73 74.8 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.547 -179.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -54.3 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.537 179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -176.97 42.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.594 -179.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 35.7 t-80 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.06 -0.972 . . . . 1.0 110.595 -179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ptt? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -148.59 77.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.9 168.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.548 -179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.9 -43.64 0.63 Allowed Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 7' ' ' PHE . . . 142.02 -134.3 6.1 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 1.0 110.592 -179.909 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 5' ' ' GLY . 90.0 m-85 -150.45 -117.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 7' ' ' PHE . 12.1 t70 41.81 92.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.533 ' C ' ' H ' ' A' ' 11' ' ' TYR . 1.7 t30 -132.1 -4.17 3.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 -179.789 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER 66.52 -35.94 0.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.169 -179.985 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.533 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.0 t80 73.89 -145.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.674 0.273 . . . . 1.0 110.49 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' O ' ' N ' ' A' ' 14' ' ' ASP . . . -40.25 -29.88 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 61.56 -71.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 1.0 110.645 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' GLY . 1.1 m-20 -47.52 -30.06 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.512 179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.46 -38.3 86.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.596 179.954 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -100.74 41.16 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.537 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 18' ' ' GLU . 4.0 m -87.14 91.34 8.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 17' ' ' SER . 17.4 pt-20 33.22 42.91 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 111.362 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.8 t -83.86 -53.99 5.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.478 -179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.517 ' O ' ' CD1' ' A' ' 24' ' ' TRP . 2.4 pt-20 -174.76 27.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.569 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 36.2 m-85 -102.54 31.7 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.584 179.956 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 t -172.34 -32.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.9 26.1 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.604 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 7.3 p-90 -138.72 -59.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.611 179.954 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 6.1 mtmt 40.8 93.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.611 179.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.13 116.1 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.2 t -73.73 56.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.622 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.639 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 97.45 10.65 53.4 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 -179.939 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.69 17.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 1.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 30' ' ' LEU . 10.6 mp -85.44 -18.32 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.505 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.7 mp -67.9 -59.83 6.08 Favored Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.213 -0.448 . . . . 1.0 111.285 -179.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 10.0 Cg_endo -51.43 -13.95 1.58 Allowed 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.816 1.677 . . . . 1.0 112.098 179.835 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 36' ' ' MET . . . -94.86 -75.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.57 179.998 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 94.0 mt -47.42 -33.8 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.537 179.972 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -72.54 -27.06 61.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.554 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.468 ' C ' ' H ' ' A' ' 38' ' ' VAL . 2.0 ttp -77.53 -44.35 28.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.583 -179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -73.48 16.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' H ' ' C ' ' A' ' 36' ' ' MET . 19.6 t -136.95 -22.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.598 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.519 ' O ' ' CD1' ' A' ' 39' ' ' PHE . 1.3 t80 -68.45 -39.07 81.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 1.0 110.552 179.934 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.52 3.01 52.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.521 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -137.7 21.03 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.599 179.942 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.46 8.58 3.44 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -163.0 -42.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 1.0 110.576 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 44' ' ' THR . 12.8 m -71.79 -16.5 62.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.525 -179.962 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.44 -58.09 5.42 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 41.86 90.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 1.0 110.557 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.98 -16.43 0.61 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 mt -91.17 6.25 45.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 1.0 110.663 179.947 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 49' ' ' VAL . 41.8 t -103.35 -9.89 9.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.561 -179.948 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.831 ' H ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -132.38 14.5 4.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.493 179.916 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 52' ' ' THR . 1.8 t90 -100.7 -70.73 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.537 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 8.7 t -71.08 -32.41 69.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.525 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 51.2 t -64.04 -39.31 85.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.544 179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.68 22.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.582 179.971 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.2 mtp180 -137.25 -26.45 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -98.74 -12.21 21.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 -179.957 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.49 68.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.6 -179.925 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 56' ' ' LYS . . . -80.02 27.28 2.71 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.528 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -175.22 92.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.816 0.341 . . . . 1.0 110.653 179.999 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.38 117.87 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.549 -179.967 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 2.5 t-80 70.34 -171.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.575 179.99 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -156.1 177.51 11.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.588 179.973 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -165.84 60.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.582 179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.565 -179.979 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 62.23 41.88 10.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -43.46 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.54 -179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.24 -50.66 0.73 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.482 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . 139.28 136.77 3.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -57.88 -4.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 1.0 110.58 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.3 OUTLIER -60.2 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -56.35 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.595 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -145.54 -40.04 0.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.69 -54.22 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.602 179.959 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' CD2' ' N ' ' A' ' 12' ' ' GLY . 83.8 t80 54.68 -92.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.934 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' N ' ' CD2' ' A' ' 11' ' ' TYR . . . -72.88 59.77 1.73 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -92.37 81.38 4.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.818 0.342 . . . . 1.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.3 t0 45.43 17.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.527 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 4.7 m120 -101.56 -52.77 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.452 -179.998 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.515 ' OE1' ' CZ ' ' A' ' 11' ' ' TYR . 2.7 mt-30 -103.66 40.5 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.2 m -104.87 82.12 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 46.73 43.71 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.578 -179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.05 -40.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.451 179.902 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -150.83 20.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.537 ' CE2' ' NZ ' ' A' ' 25' ' ' LYS . 4.7 p90 -83.06 -0.36 48.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.585 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 24' ' ' TRP . 13.9 p -101.98 -30.93 10.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.51 179.79 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -41.94 -21.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.366 179.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CG ' ' O ' ' A' ' 24' ' ' TRP . 3.8 p-90 -150.14 109.99 4.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.442 179.838 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' NZ ' ' CE2' ' A' ' 21' ' ' TYR . 8.8 mmtp -114.48 6.86 16.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.348 179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 p -172.6 126.72 0.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.454 179.909 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 -19.22 15.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.603 -179.891 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -144.73 15.36 1.99 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.011 -0.836 . . . . 1.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 60.77 28.59 18.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.33 . . . . 1.0 110.519 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 1.9 pp -135.41 -34.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.52 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.474 ' C ' ' H ' ' A' ' 33' ' ' ALA . 6.2 mt -47.96 -59.7 5.41 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.335 -179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 7.6 Cg_endo -50.27 -7.85 0.12 Allowed 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 121.804 1.669 . . . . 1.0 112.089 179.843 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 30' ' ' LEU . . . -95.39 -69.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.521 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.8 mp -54.66 -19.64 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -89.78 -38.74 13.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.492 179.951 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 19.5 ttm -63.03 -41.59 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.503 179.917 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.0 mt -73.37 38.13 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' MET . 21.5 t -137.93 -34.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.572 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -2.98 40.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.595 -179.975 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.63 31.53 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.53 179.973 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.7 tp -163.88 -37.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.362 -179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.29 -30.12 11.4 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 44' ' ' THR . 14.6 t -99.58 -43.19 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 1.0 110.597 179.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.539 ' N ' HG23 ' A' ' 43' ' ' THR . 2.2 t -79.68 -28.76 40.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.536 179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.406 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -80.22 -48.1 6.62 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.953 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 45' ' ' GLY . 0.5 OUTLIER -158.84 95.36 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.823 0.344 . . . . 1.0 110.555 -179.952 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 174.13 31.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mt -107.34 -4.55 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 1.0 110.527 179.932 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 49' ' ' VAL . 86.5 t -97.87 -2.18 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.507 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 2.0 2.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.47 ' CD1' ' C ' ' A' ' 51' ' ' TRP . 7.4 t90 -102.06 -53.49 2.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.531 179.971 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.407 ' H ' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -81.12 -42.26 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.46 179.877 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.59 -27.44 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -57.9 -67.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.606 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -58.05 -28.44 64.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -71.11 -24.3 62.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.606 -179.922 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HB2' ' HZ2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -41.56 -22.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.698 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 101.79 51.89 1.07 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.584 -1.006 . . . . 1.0 110.584 -179.669 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -42.11 -20.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.732 0.301 . . . . 1.0 110.607 -179.995 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.3 t60 -76.72 47.7 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.488 179.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -41.38 154.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.606 -179.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -93.54 122.11 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.561 179.962 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -169.52 47.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.545 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.571 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.422 -0.584 . . . . 1.0 109.422 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -139.26 42.09 2.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.544 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -56.58 120.07 7.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.59 179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.0 46.58 0.06 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.02 138.45 48.82 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.84 -25.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 1.0 110.633 179.987 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' A' ' 8' ' ' ASP . 36.4 p90 -167.03 -53.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.565 179.969 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 9.8 t70 42.9 94.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.562 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -154.5 -39.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.609 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' TYR . 68.8 m-85 -92.64 -55.58 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.605 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 12.3 t80 55.77 161.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.613 179.944 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.619 ' N ' ' CG ' ' A' ' 11' ' ' TYR . . . 41.18 30.75 0.47 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ASN . . . -74.98 -162.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.773 0.32 . . . . 1.0 110.588 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.02 -5.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.554 -179.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -46.72 -36.85 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.493 -179.947 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -101.05 41.85 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.619 179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -151.01 -172.03 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.571 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 3.0 mp0 -57.23 97.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.542 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 19' ' ' CYS . 0.7 OUTLIER -102.79 92.02 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.557 179.958 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' NE1' ' A' ' 24' ' ' TRP . 12.1 mt-10 52.79 24.72 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.593 -179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.474 ' CD2' ' O ' ' A' ' 19' ' ' CYS . 35.5 m-85 -97.23 -7.61 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.547 -179.987 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.461 ' C ' ' H ' ' A' ' 24' ' ' TRP . 8.4 t -173.24 -32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.589 -179.98 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -75.39 35.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.592 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.605 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 6.5 p-90 -149.95 -53.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.562 179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.605 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 29.8 mmtt 42.9 -99.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.56 179.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB2' ' HB3' ' A' ' 29' ' ' ALA . 88.3 p -165.69 -72.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.561 179.97 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 26' ' ' SER . 0.7 OUTLIER 78.53 18.47 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.788 179.951 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.07 2.92 2.94 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.172 -0.771 . . . . 1.0 111.172 179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 26' ' ' SER . . . -71.85 -43.88 64.75 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 121.018 -0.273 . . . . 1.0 110.897 -179.738 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.607 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -130.11 4.91 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.353 179.692 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.6 mt -69.63 -35.79 6.0 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.801 179.345 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 15.2 Cg_exo -65.2 -13.52 40.22 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.882 1.721 . . . . 1.0 111.551 179.557 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.51 -59.08 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.615 -179.946 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.9 mm -58.22 -68.54 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.668 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -41.43 -31.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.68 -179.993 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.532 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 6.0 ttp -80.74 -43.44 20.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.629 -179.991 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.1 mt -58.68 -5.86 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.583 179.973 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.1 t -102.72 2.36 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.61 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.487 ' CG ' ' N ' ' A' ' 40' ' ' LEU . 1.3 t80 -102.37 -72.89 0.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.57 -179.955 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' N ' ' CG ' ' A' ' 39' ' ' PHE . 1.8 pp -57.3 -21.58 35.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.528 -179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 48' ' ' LEU . 0.9 OUTLIER -106.76 -24.26 12.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 -179.949 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -42.53 -51.91 5.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 t -153.58 -18.06 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.895 0.379 . . . . 1.0 110.403 179.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' C ' ' H ' ' A' ' 46' ' ' ASN . 10.8 m -83.26 -11.32 57.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.594 179.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' LEU . . . -48.5 -11.53 0.15 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.479 ' H ' ' C ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 42.38 38.72 1.27 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 109.886 -179.712 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.485 ' C ' ' N ' ' A' ' 49' ' ' VAL . . . 58.51 116.14 0.01 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.319 -1.113 . . . . 1.0 110.319 -179.658 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.565 ' CD1' HD21 ' A' ' 41' ' ' LEU . 6.1 mp -52.56 -10.12 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.042 0.449 . . . . 1.0 109.831 179.7 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.485 ' N ' ' C ' ' A' ' 47' ' ' GLY . 4.5 m -54.41 -8.0 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.773 -0.648 . . . . 1.0 110.292 179.524 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' LEU . 93.4 mt -106.78 21.5 17.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.552 179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.666 ' HE1' ' NH1' ' A' ' 55' ' ' ARG . 2.0 t90 -126.72 -51.41 1.47 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.464 179.977 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.7 t -76.95 -33.23 57.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.493 179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.47 ' C ' ' H ' ' A' ' 55' ' ' ARG . 55.6 t -59.56 -36.39 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.616 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -72.61 15.58 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.618 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.666 ' NH1' ' HE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -139.05 1.18 2.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.571 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -74.0 -58.47 3.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.549 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -15.89 2.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.517 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 102.68 52.95 0.94 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.529 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 2.1 m170 64.9 -69.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 1.0 110.566 179.996 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' GLY . 1.4 t-160 -154.72 115.61 3.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.548 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.493 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 2.0 t-80 -93.61 -161.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.635 179.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.493 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 12.4 t-80 -64.86 163.92 13.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.565 -179.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -159.67 45.9 0.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.619 179.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 118.006 -0.997 . . . . 1.0 110.49 -179.936 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 mtt . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -81.01 73.47 8.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 179.955 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -51.71 140.05 19.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.53 -179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.37 14.34 63.53 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -140.52 99.87 0.26 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -59.28 -9.21 2.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 1.0 110.558 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 9.1 t80 -55.36 -12.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.539 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -3.44 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.497 -179.871 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 11' ' ' TYR . 34.1 t30 -101.65 4.79 41.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.596 179.927 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 9' ' ' ASN . 1.3 m-85 72.03 -32.56 0.25 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.781 -179.862 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.1 OUTLIER 66.36 -152.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 -179.916 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.16 81.08 0.01 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.63 -0.988 . . . . 1.0 110.63 179.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -82.16 -55.7 4.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.83 0.348 . . . . 1.0 110.699 -179.534 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 p-10 -58.35 -30.51 66.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.575 179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.84 -31.82 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.492 179.975 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -102.65 41.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.488 179.96 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.0 m -94.6 49.47 1.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.6 179.967 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 44.83 44.81 8.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.587 179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.4 m -86.77 -64.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.563 179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' C ' ' CD1' ' A' ' 21' ' ' TYR . 48.3 mt-10 -144.34 62.93 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.512 -179.991 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 20' ' ' GLU . 53.4 m-85 -145.45 31.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.551 -179.983 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 HG22 ' C ' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -170.89 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.569 -179.997 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -86.31 39.68 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.562 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' O ' ' CD2' ' A' ' 24' ' ' TRP . 5.3 p-90 -168.55 25.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.548 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' O ' ' CB ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -41.51 -36.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.587 179.99 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER 78.48 108.74 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.558 -179.955 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -84.36 48.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.647 -179.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.666 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . 150.49 -38.55 0.88 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.055 -0.818 . . . . 1.0 111.055 179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 83.24 48.98 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.815 0.341 . . . . 1.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.724 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.4 pt? -158.49 19.7 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.486 179.335 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -70.69 -38.29 7.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.29 179.809 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.604 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_endo -84.4 16.54 1.92 Allowed 'Trans proline' 0 C--N 1.314 -1.288 0 C-N-CA 122.289 1.993 . . . . 1.0 112.039 -179.842 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -123.54 -21.39 5.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.38 179.795 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.487 HD12 ' C ' ' A' ' 33' ' ' ALA . 1.5 mp -105.77 -63.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.285 179.932 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CD1' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -46.29 -38.22 8.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.627 179.975 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.547 ' N ' ' CD1' ' A' ' 35' ' ' TYR . 3.2 tpp -78.01 -50.74 11.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.645 -179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' ALA . 48.2 mt -75.38 30.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.637 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' H ' ' C ' ' A' ' 36' ' ' MET . 35.3 t -144.72 -22.39 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.601 179.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 39' ' ' PHE . 1.1 t80 -77.94 -48.18 16.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.484 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 pp -102.23 7.94 40.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.944 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.37 15.78 2.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.625 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.99 0.68 3.69 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.844 -0.903 . . . . 1.0 110.844 -179.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -149.97 -50.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 1.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' HG22 ' A' ' 44' ' ' THR . 6.8 m -63.93 -12.1 34.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -40.92 -64.03 1.35 Allowed Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.899 -0.88 . . . . 1.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -159.01 -109.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.75 0.31 . . . . 1.0 110.624 179.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.684 ' O ' HG12 ' A' ' 49' ' ' VAL . . . -62.25 -130.42 0.01 OUTLIER Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 -179.899 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 9.4 mt 64.68 -7.64 0.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.578 0.228 . . . . 1.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -117.6 -29.73 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 N-CA-C 109.853 -0.425 . . . . 1.0 109.853 179.479 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -127.18 3.9 6.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.089 -0.505 . . . . 1.0 109.994 178.926 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.541 ' N ' HD12 ' A' ' 50' ' ' LEU . 14.1 t90 -84.58 -81.72 0.18 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.604 -179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.503 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -41.16 -50.56 3.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.696 -179.881 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 55' ' ' ARG . 39.5 t -49.37 -43.31 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -73.3 14.24 0.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' H ' ' C ' ' A' ' 53' ' ' VAL . 23.9 mtp85 -138.07 -25.55 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.515 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -72.37 -14.86 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.559 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -53.74 -22.72 9.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.584 179.981 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 60' ' ' HIS . . . 45.73 -92.11 0.01 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.849 -0.9 . . . . 1.0 110.849 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' LYS . 14.9 m-70 40.08 -90.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.746 0.308 . . . . 1.0 110.749 179.957 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.527 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -142.96 169.83 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.542 -179.983 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.75 1.38 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.544 179.942 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t60 69.74 124.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.58 -180.0 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -168.03 44.42 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.549 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t60 . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 117.926 -1.035 . . . . 1.0 110.532 179.979 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -99.73 55.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.566 -179.96 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.421 ' OE1' ' O ' ' A' ' 8' ' ' ASP . 18.7 mt-10 -51.06 152.08 2.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.549 -179.998 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.0 -4.94 53.99 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 7' ' ' PHE . . . -95.24 119.15 6.08 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.48 -2.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.751 0.31 . . . . 1.0 110.644 -179.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.483 ' H ' ' C ' ' A' ' 5' ' ' GLY . 0.2 OUTLIER -137.28 -27.82 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.631 179.922 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' OE1' ' A' ' 3' ' ' GLU . 24.5 t0 -45.28 132.8 7.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.629 179.881 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 37.2 p-10 -89.79 -40.52 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 -179.968 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 82.9 m-85 -153.4 -79.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' C ' ' H ' ' A' ' 13' ' ' ALA . 3.1 t80 70.61 -66.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.528 180.0 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.09 30.85 1.34 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 15' ' ' ASN . . . -67.13 -155.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.791 0.329 . . . . 1.0 110.48 -179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER 46.35 15.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 179.974 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 13' ' ' ALA . 8.6 t-20 -94.92 -36.68 11.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.4 179.88 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -106.07 39.82 1.72 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.93 -169.72 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.553 179.942 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.47 122.99 2.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.531 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.04 -53.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -141.65 32.87 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.569 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' C ' ' HE1' ' A' ' 24' ' ' TRP . 54.9 m-85 -137.78 27.15 2.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.533 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.537 ' N ' ' HE1' ' A' ' 24' ' ' TRP . 4.6 t -172.56 -32.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.532 179.969 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.32 46.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.617 179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CG ' ' N ' ' A' ' 25' ' ' LYS . 15.0 p-90 -163.47 -62.86 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.567 -179.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' N ' ' CG ' ' A' ' 24' ' ' TRP . 26.0 mmtt 48.14 73.67 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.57 124.95 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.96 -44.02 23.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.587 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.641 ' O ' ' HB3' ' A' ' 29' ' ' ALA . . . -138.7 4.35 3.0 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.965 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' A' ' 28' ' ' GLY . . . 77.61 42.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 1.0 110.618 179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.663 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -140.72 15.94 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.55 -179.968 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.7 mm -77.02 -35.02 1.31 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 179.846 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 58.2 Cg_endo -86.88 12.62 2.93 Favored 'Trans proline' 0 C--N 1.315 -1.231 0 C-N-CA 122.383 2.055 . . . . 1.0 112.043 -179.829 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -108.28 -27.8 9.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.445 179.963 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -112.67 -65.27 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -53.8 -13.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.65 179.982 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 38.4 ttm -99.47 -68.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.473 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 33' ' ' ALA . 53.9 mt -47.47 -46.65 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.469 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' GLY . 68.6 t -49.24 -32.08 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.531 179.931 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -67.42 -43.41 81.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.592 179.928 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.0 mt -91.54 15.64 12.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mt -153.04 15.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.622 -179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 38' ' ' VAL . . . -137.65 21.75 3.21 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -177.28 -60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -54.78 -32.43 60.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.592 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' ASN . . . -47.22 -62.95 3.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER 40.07 95.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.987 0.423 . . . . 1.0 110.828 179.905 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.46 -13.28 3.74 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.554 HD22 ' N ' ' A' ' 48' ' ' LEU . 3.8 mm? -84.94 -8.05 58.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 1.0 110.441 -179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.9 m -100.71 -3.56 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.636 179.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.0 pp -135.63 1.04 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.626 -179.954 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.589 ' HE1' ' CZ ' ' A' ' 55' ' ' ARG . 6.5 t90 -83.64 -74.83 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.507 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -46.98 -46.99 22.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.581 179.878 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.6 t -54.91 -22.35 10.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.31 19.77 2.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.527 -179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.589 ' CZ ' ' HE1' ' A' ' 51' ' ' TRP . 24.7 mtt85 -135.16 -31.97 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.556 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 10.84 39.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.616 179.924 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -60.79 -41.46 95.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.449 -179.951 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' C ' ' CG ' ' A' ' 59' ' ' HIS . . . 65.41 31.95 81.98 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 59' ' ' HIS . 0.4 OUTLIER 65.75 -158.69 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.734 0.302 . . . . 1.0 110.578 -179.964 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -43.09 111.64 0.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.581 -179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -66.22 109.41 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.613 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.42 157.9 36.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -158.62 56.15 0.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.9 m80 . . . . . 0 C--O 1.221 -0.424 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.639 179.981 . . . . . . . . 0 0 . 1 stop_ save_